(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide

C23H39N5O5 — CID 11887609

IUPAC(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C23H39N5O5/c1-33-15-20(29)28-12-11-27(23(32)17-7-9-25-10-8-17)14-19(28)22(31)26-18(21(24)30)13-16-5-3-2-4-6-16/h16-19,25H,2-15H2,1H3,(H2,24,30)(H,26,31)/t18-,19+/m0/s1
InChIKeyVMOWYIHKTLAVPA-RBUKOAKNSA-N
MW465.60 g/mol
LogP-0.39
Rot. Bonds8

About (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide

(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide (PubChem CID 11887609) has the molecular formula C23H39N5O5 and a molecular weight of 465.60 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
PubChem CID11887609
Molecular FormulaC23H39N5O5
Molecular Weight465.60 g/mol
Exact Mass465.30
IUPAC Name(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
SMILESCOCC(=O)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O
InChIInChI=1S/C23H39N5O5/c1-33-15-20(29)28-12-11-27(23(32)17-7-9-25-10-8-17)14-19(28)22(31)26-18(21(24)30)13-16-5-3-2-4-6-16/h16-19,25H,2-15H2,1H3,(H2,24,30)(H,26,31)/t18-,19+/m0/s1
InChIKeyVMOWYIHKTLAVPA-RBUKOAKNSA-N
XLogP-0.39
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24819132
(2S,4R)-N-(2-morpholin-4-ylethyl)-4-undecylpiperidine-2-carboxamide
CID 155555474
(2S,4R)-4-cyclohexyl-N-(2-morpholin-4-ylethyl)piperidine-2-carboxamide
CID 156018388
(2S,4R)-4-(2-cyclohexylethyl)-N-(2-morpholin-4-ylethyl)piperidine-2-carboxamide
CID 156019194
(2S,4R)-4-(2-cyclohexylethyl)-N-(3-morpholin-4-ylpropyl)piperidine-2-carboxamide
CID 156020179
N-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220723
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(morpholine-4-carbonyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7673729
(2R)-1-acetyl-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 11912128
(2R)-1-(cyclohexanecarbonyl)-4-(2-methoxyacetyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazine-2-carboxamide
CID 7682727
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(2-methoxyacetyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164956
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(piperidine-4-carbonyl)piperazine-2-carboxamide
CID 7164964
(3R)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(piperidine-4-carbonyl)-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7164966

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide (CID 11887609) is (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide is COCC(=O)N1CCN(C(=O)C2CCNCC2)C[C@@H]1C(=O)N[C@@H](CC1CCCCC1)C(N)=O.
What is the InChIKey of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is VMOWYIHKTLAVPA-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H39N5O5/c1-33-15-20(29)28-12-11-27(23(32)17-7-9-25-10-8-17)14-19(28)22(31)26-18(21(24)30)13-16-5-3-2-4-6-16/h16-19,25H,2-15H2,1H3,(H2,24,30)(H,26,31)/t18-,19+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide?
(2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 465.60 g/mol, XLogP of -0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-1-(2-methoxyacetyl)-4-(piperidine-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 11887609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).