4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide

C21H31N3O2 — CID 24871867

IUPAC4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16(25)22-19-11-9-17(10-12-19)21(26)23-20-8-4-3-7-18(20)15-24-13-5-2-6-14-24/h9-12,18,20H,2-8,13-15H2,1H3,(H,22,25)(H,23,26)/t18-,20+/m0/s1
InChIKeyDMDKAGVAWXMUKX-AZUAARDMSA-N
MW357.50 g/mol
LogP3.42
Rot. Bonds5

About 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide

4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (PubChem CID 24871867) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
PubChem CID24871867
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1
InChIInChI=1S/C21H31N3O2/c1-16(25)22-19-11-9-17(10-12-19)21(26)23-20-8-4-3-7-18(20)15-24-13-5-2-6-14-24/h9-12,18,20H,2-8,13-15H2,1H3,(H,22,25)(H,23,26)/t18-,20+/m0/s1
InChIKeyDMDKAGVAWXMUKX-AZUAARDMSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588
4-acetamido-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927556
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 157156643
4-methoxy-N-[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 74340324
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
4-acetamido-N-cyclooctylbenzamide
CID 2990044
4-acetamido-N-(2-ethylsulfanylcyclohexyl)benzamide
CID 71976692
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 59007447

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (CID 24871867) is 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1.
What is the InChIKey of 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The InChIKey is DMDKAGVAWXMUKX-AZUAARDMSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16(25)22-19-11-9-17(10-12-19)21(26)23-20-8-4-3-7-18(20)15-24-13-5-2-6-14-24/h9-12,18,20H,2-8,13-15H2,1H3,(H,22,25)(H,23,26)/t18-,20+/m0/s1.
What are the key properties of 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide has a molecular weight of 357.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is sourced from PubChem (CID 24871867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).