3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide

C21H32N2O2 — CID 29022201

IUPAC3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-25-20-9-5-6-18(16-20)22-21(24)11-10-17-12-14-23(15-13-17)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3,(H,22,24)
InChIKeyNLDBUIDJWWLTOK-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.46
Rot. Bonds6

About 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide

3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide (PubChem CID 29022201) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
PubChem CID29022201
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-25-20-9-5-6-18(16-20)22-21(24)11-10-17-12-14-23(15-13-17)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3,(H,22,24)
InChIKeyNLDBUIDJWWLTOK-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25453412
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
N-(3-methoxyphenyl)-3-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97283369
3-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 25375209
N-(3-methoxyphenyl)-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246394
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
N-(3-methoxyphenyl)-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
CID 72881305
N-(3-methoxyphenyl)-3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 72883906
3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]-N-(3-methoxyphenyl)propanamide
CID 26405274
N-(3-methoxyphenyl)-3-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]propanamide
CID 42099100
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide
CID 55864033
3-cyclohexyl-N-[3-(propanoylamino)phenyl]propanamide
CID 46568170

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide (CID 29022201) is 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCC2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
The InChIKey is NLDBUIDJWWLTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-25-20-9-5-6-18(16-20)22-21(24)11-10-17-12-14-23(15-13-17)19-7-3-2-4-8-19/h5-6,9,16-17,19H,2-4,7-8,10-15H2,1H3,(H,22,24).
What are the key properties of 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide?
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide has a molecular weight of 344.50 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 29022201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).