1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide

C20H35N3O3S2 — CID 95784499

IUPAC1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide
SMILESCS[C@H](C)C(=O)NC1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)SC)CC2)CC1
InChIInChI=1S/C20H35N3O3S2/c1-13(27-3)18(24)21-16-5-7-17(8-6-16)22-19(25)15-9-11-23(12-10-15)20(26)14(2)28-4/h13-17H,5-12H2,1-4H3,(H,21,24)(H,22,25)/t13-,14-,16?,17?/m1/s1
InChIKeyGKJXMGWZGMDAHY-QBBMROGASA-N
MW429.65 g/mol
LogP2.27
Rot. Bonds7

About 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide

1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide (PubChem CID 95784499) has the molecular formula C20H35N3O3S2 and a molecular weight of 429.65 g/mol. Its IUPAC name is 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide
PubChem CID95784499
Molecular FormulaC20H35N3O3S2
Molecular Weight429.65 g/mol
Exact Mass429.21
IUPAC Name1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide
SMILESCS[C@H](C)C(=O)NC1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)SC)CC2)CC1
InChIInChI=1S/C20H35N3O3S2/c1-13(27-3)18(24)21-16-5-7-17(8-6-16)22-19(25)15-9-11-23(12-10-15)20(26)14(2)28-4/h13-17H,5-12H2,1-4H3,(H,21,24)(H,22,25)/t13-,14-,16?,17?/m1/s1
InChIKeyGKJXMGWZGMDAHY-QBBMROGASA-N
XLogP2.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-2-methylsulfanylpropanamide
CID 126996006
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
N-[3-(diethylamino)propyl]-1-(2-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 86994380
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-methylsulfanylpropanamide
CID 47057659
N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
CID 108561745
1-methyl-N-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 153459282
1-[4-(aminomethyl)piperidin-1-yl]-2-methylsulfanylpropan-1-one
CID 119422924
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 65227239
1-N-cyclopropyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 47177764
1-acetyl-N-(1-cyclopropylpiperidin-4-yl)piperidine-4-carboxamide
CID 110750203
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
1-(2-methyl-3-methylsulfanylpropanoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 136540184

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide (CID 95784499) is 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide is CS[C@H](C)C(=O)NC1CCC(NC(=O)C2CCN(C(=O)[C@@H](C)SC)CC2)CC1.
What is the InChIKey of 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide?
The InChIKey is GKJXMGWZGMDAHY-QBBMROGASA-N. The full InChI is InChI=1S/C20H35N3O3S2/c1-13(27-3)18(24)21-16-5-7-17(8-6-16)22-19(25)15-9-11-23(12-10-15)20(26)14(2)28-4/h13-17H,5-12H2,1-4H3,(H,21,24)(H,22,25)/t13-,14-,16?,17?/m1/s1.
What are the key properties of 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide?
1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide has a molecular weight of 429.65 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methylsulfanylpropanoyl]-N-[4-[[(2R)-2-methylsulfanylpropanoyl]amino]cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 95784499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).