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

C27H38N4O3S — CID 23793454

IUPAC(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C1CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C27H38N4O3S/c1-34-16-15-30(19-20-6-3-2-4-7-20)23-13-14-31(27(33)25-8-5-17-35-25)24(18-23)26(32)29-22-11-9-21(28)10-12-22/h2-8,17,21-24H,9-16,18-19,28H2,1H3,(H,29,32)/t21?,22?,23?,24-/m1/s1
InChIKeyKIPMCHWCUULLQY-YRTVTSRJSA-N
MW498.69 g/mol
LogP3.26
Rot. Bonds9

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

(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 23793454) has the molecular formula C27H38N4O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID23793454
Molecular FormulaC27H38N4O3S
Molecular Weight498.69 g/mol
Exact Mass498.27
IUPAC Name(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCOCCN(Cc1ccccc1)C1CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C27H38N4O3S/c1-34-16-15-30(19-20-6-3-2-4-7-20)23-13-14-31(27(33)25-8-5-17-35-25)24(18-23)26(32)29-22-11-9-21(28)10-12-22/h2-8,17,21-24H,9-16,18-19,28H2,1H3,(H,29,32)/t21?,22?,23?,24-/m1/s1
InChIKeyKIPMCHWCUULLQY-YRTVTSRJSA-N
XLogP3.26
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.69
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)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-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23989110
N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23876008
N-(4-aminocyclohexyl)-4-[benzyl(2-morpholin-4-ylethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23851007
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]piperidine-2-carboxamide
CID 23933944
(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 23933625
N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(thiophen-2-ylmethyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23762259
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
CID 23734948
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098
(2R)-N-(4-aminocyclohexyl)-4-[benzyl-[(3-methoxyphenyl)methyl]amino]-1-(4-methylbenzoyl)piperidine-2-carboxamide
CID 23993711
N-(4-aminocyclohexyl)-4-[(4-fluorophenyl)methyl-(2-methoxyethyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23819307
N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 23793310
(2R)-N-(4-aminocyclohexyl)-4-[(4-cyanophenyl)methyl-(2-phenylethyl)amino]-1-(4-fluorobenzoyl)piperidine-2-carboxamide
CID 23761837

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 23793454) is (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is COCCN(Cc1ccccc1)C1CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCC(N)CC2)C1.
What is the InChIKey of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is KIPMCHWCUULLQY-YRTVTSRJSA-N. The full InChI is InChI=1S/C27H38N4O3S/c1-34-16-15-30(19-20-6-3-2-4-7-20)23-13-14-31(27(33)25-8-5-17-35-25)24(18-23)26(32)29-22-11-9-21(28)10-12-22/h2-8,17,21-24H,9-16,18-19,28H2,1H3,(H,29,32)/t21?,22?,23?,24-/m1/s1.
What are the key properties of (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
(2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 498.69 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-aminocyclohexyl)-4-[benzyl(2-methoxyethyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 23793454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).