N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide

C22H33N3O2 — CID 7411819

IUPACN-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-7-5-6-10-20(17)24-22(27)16-25-13-11-19(12-14-25)23-21(26)15-18-8-3-2-4-9-18/h2-4,8-9,17,19-20H,5-7,10-16H2,1H3,(H,23,26)(H,24,27)/t17-,20+/m1/s1
InChIKeyMKYKOAGXOKHVFV-XLIONFOSSA-N
MW371.53 g/mol
LogP2.50
Rot. Bonds6

About N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 7411819) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID7411819
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H33N3O2/c1-17-7-5-6-10-20(17)24-22(27)16-25-13-11-19(12-14-25)23-21(26)15-18-8-3-2-4-9-18/h2-4,8-9,17,19-20H,5-7,10-16H2,1H3,(H,23,26)(H,24,27)/t17-,20+/m1/s1
InChIKeyMKYKOAGXOKHVFV-XLIONFOSSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
2-(4-benzylsulfonylpiperazin-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9443779
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11934678
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8528448
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-(azepan-1-yl)-N-[(3S)-1-benzylpyrrolidin-3-yl]acetamide
CID 131913098
N-benzyl-1-[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 27107463

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide (CID 7411819) is N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide is C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is MKYKOAGXOKHVFV-XLIONFOSSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-17-7-5-6-10-20(17)24-22(27)16-25-13-11-19(12-14-25)23-21(26)15-18-8-3-2-4-9-18/h2-4,8-9,17,19-20H,5-7,10-16H2,1H3,(H,23,26)(H,24,27)/t17-,20+/m1/s1.
What are the key properties of N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 371.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 7411819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).