(7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide

C36H55N5O4S — CID 155064975

IUPAC(7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C[C@@H]1C(=O)NCc1cccs1)[C@@H]1CCCC2(CCNC2=O)C1
InChIInChI=1S/C36H55N5O4S/c42-32(26-11-7-16-36(22-26)17-18-37-35(36)45)40-30-15-19-41(24-29(30)33(43)38-23-28-14-8-20-46-28)34(44)31(21-25-9-3-1-4-10-25)39-27-12-5-2-6-13-27/h8,14,20,25-27,29-31,39H,1-7,9-13,15-19,21-24H2,(H,37,45)(H,38,43)(H,40,42)/t26-,29+,30-,31-,36?/m1/s1
InChIKeyYAZCPKMTPLOBQY-DPGYIJJRSA-N
MW653.93 g/mol
LogP4.66
Rot. Bonds10

About (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide

(7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide (PubChem CID 155064975) has the molecular formula C36H55N5O4S and a molecular weight of 653.93 g/mol. Its IUPAC name is (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name(7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide
PubChem CID155064975
Molecular FormulaC36H55N5O4S
Molecular Weight653.93 g/mol
Exact Mass653.40
IUPAC Name(7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C[C@@H]1C(=O)NCc1cccs1)[C@@H]1CCCC2(CCNC2=O)C1
InChIInChI=1S/C36H55N5O4S/c42-32(26-11-7-16-36(22-26)17-18-37-35(36)45)40-30-15-19-41(24-29(30)33(43)38-23-28-14-8-20-46-28)34(44)31(21-25-9-3-1-4-10-25)39-27-12-5-2-6-13-27/h8,14,20,25-27,29-31,39H,1-7,9-13,15-19,21-24H2,(H,37,45)(H,38,43)(H,40,42)/t26-,29+,30-,31-,36?/m1/s1
InChIKeyYAZCPKMTPLOBQY-DPGYIJJRSA-N
XLogP4.66
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500653.93
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide with MolForge

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Related Compounds

N-[(3S,4R)-1-[(2R)-2-(cyclohexylamino)-7-cyclopropylsulfonylheptanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 158392790
1,2,3,4-tetrahydroisoquinolin-5-yl (3S)-4-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 170120032
N-[(3S,4R)-3-[(3-chloro-1H-indol-5-yl)methylcarbamoyl]-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]piperidin-4-yl]-5-methyl-1,3-thiazole-2-carboxamide
CID 142354492
(2S)-1-[3-cyclohexyl-2-(cyclohexylamino)propanoyl]-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 146257438
(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493408
N-[(3S,4R)-1-[(2R)-2-[(2-benzyl-2-azaspiro[4.5]decan-8-yl)amino]-6-(methylsulfanylamino)hexanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-6-azaspiro[2.5]octane-6-carboxamide
CID 155064987
(4-methylquinazolin-8-yl) (3S)-4-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 146263708
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
2-(2-cyclohexylacetyl)-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 24869731
(2R,3S)-5-(cyclopentanecarbonyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493399
(3S,4R)-1-[(2R)-2-[cyclohexyl(methyl)amino]-6-(dimethylamino)hexanoyl]-4-[(2,4-difluorobenzoyl)amino]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 154623855
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 25306030

Frequently Asked Questions

What is the IUPAC name of (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide (CID 155064975) is (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide is O=C(N[C@@H]1CCN(C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C[C@@H]1C(=O)NCc1cccs1)[C@@H]1CCCC2(CCNC2=O)C1.
What is the InChIKey of (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is YAZCPKMTPLOBQY-DPGYIJJRSA-N. The full InChI is InChI=1S/C36H55N5O4S/c42-32(26-11-7-16-36(22-26)17-18-37-35(36)45)40-30-15-19-41(24-29(30)33(43)38-23-28-14-8-20-46-28)34(44)31(21-25-9-3-1-4-10-25)39-27-12-5-2-6-13-27/h8,14,20,25-27,29-31,39H,1-7,9-13,15-19,21-24H2,(H,37,45)(H,38,43)(H,40,42)/t26-,29+,30-,31-,36?/m1/s1.
What are the key properties of (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide?
(7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 653.93 g/mol, XLogP of 4.66, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-[(3S,4R)-1-[(2R)-3-cyclohexyl-2-(cyclohexylamino)propanoyl]-3-(thiophen-2-ylmethylcarbamoyl)piperidin-4-yl]-1-oxo-2-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 155064975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).