(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C28H46N4O2S — CID 23933625

IUPAC(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(C)CN(CC1CCCCC1)C1CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C28H46N4O2S/c1-20(2)18-31(19-21-7-4-3-5-8-21)24-14-15-32(28(34)26-9-6-16-35-26)25(17-24)27(33)30-23-12-10-22(29)11-13-23/h6,9,16,20-25H,3-5,7-8,10-15,17-19,29H2,1-2H3,(H,30,33)/t22?,23?,24?,25-/m1/s1
InChIKeyZATCSJCWCGZOGP-FVPXYTCKSA-N
MW502.77 g/mol
LogP4.65
Rot. Bonds8

About (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 23933625) has the molecular formula C28H46N4O2S and a molecular weight of 502.77 g/mol. Its IUPAC name is (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID23933625
Molecular FormulaC28H46N4O2S
Molecular Weight502.77 g/mol
Exact Mass502.33
IUPAC Name(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCC(C)CN(CC1CCCCC1)C1CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C28H46N4O2S/c1-20(2)18-31(19-21-7-4-3-5-8-21)24-14-15-32(28(34)26-9-6-16-35-26)25(17-24)27(33)30-23-12-10-22(29)11-13-23/h6,9,16,20-25H,3-5,7-8,10-15,17-19,29H2,1-2H3,(H,30,33)/t22?,23?,24?,25-/m1/s1
InChIKeyZATCSJCWCGZOGP-FVPXYTCKSA-N
XLogP4.65
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.77
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide with MolForge

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Related Compounds

(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23793454
(2R)-N-[[4-(aminomethyl)cyclohexyl]methyl]-4-[bis(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23849089
N-(4-aminocyclohexyl)-1-(4-fluorobenzoyl)-4-[2-methylpropyl(thiophene-2-carbonyl)amino]pyrrolidine-2-carboxamide
CID 23964370
N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23876008
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098
N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23762259
N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
CID 23856406
N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23851007
N-(4-aminocyclohexyl)-4-[(4-methoxybenzoyl)-(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23878610
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 23933625) is (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CC(C)CN(CC1CCCCC1)C1CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCC(N)CC2)C1.
What is the InChIKey of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is ZATCSJCWCGZOGP-FVPXYTCKSA-N. The full InChI is InChI=1S/C28H46N4O2S/c1-20(2)18-31(19-21-7-4-3-5-8-21)24-14-15-32(28(34)26-9-6-16-35-26)25(17-24)27(33)30-23-12-10-22(29)11-13-23/h6,9,16,20-25H,3-5,7-8,10-15,17-19,29H2,1-2H3,(H,30,33)/t22?,23?,24?,25-/m1/s1.
What are the key properties of (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 502.77 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 23933625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).