1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide

C15H27N3O2 — CID 8546110

IUPAC1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H27N3O2/c1-11-4-2-3-5-13(11)17-14(19)10-18-8-6-12(7-9-18)15(16)20/h11-13H,2-10H2,1H3,(H2,16,20)(H,17,19)/t11-,13+/m1/s1
InChIKeyDVLCHVKMGLPNAI-YPMHNXCESA-N
MW281.40 g/mol
LogP0.88
Rot. Bonds4

About 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 8546110) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID8546110
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H27N3O2/c1-11-4-2-3-5-13(11)17-14(19)10-18-8-6-12(7-9-18)15(16)20/h11-13H,2-10H2,1H3,(H2,16,20)(H,17,19)/t11-,13+/m1/s1
InChIKeyDVLCHVKMGLPNAI-YPMHNXCESA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904053
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
1-(2-hydrazinyl-2-oxoethyl)piperidine-4-carboxamide
CID 63568809
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796664
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8528448

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 8546110) is 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is DVLCHVKMGLPNAI-YPMHNXCESA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-4-2-3-5-13(11)17-14(19)10-18-8-6-12(7-9-18)15(16)20/h11-13H,2-10H2,1H3,(H2,16,20)(H,17,19)/t11-,13+/m1/s1.
What are the key properties of 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 8546110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).