3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide

C22H34N2O3 — CID 45202621

IUPAC3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCC2CCCN(C3CCCCC3)C2)cc(OC)c1
InChIInChI=1S/C22H34N2O3/c1-26-20-13-18(14-21(15-20)27-2)23-22(25)11-10-17-7-6-12-24(16-17)19-8-4-3-5-9-19/h13-15,17,19H,3-12,16H2,1-2H3,(H,23,25)
InChIKeyVFCNSRCKYBZWGB-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.47
Rot. Bonds7

About 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide

3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 45202621) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID45202621
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCC2CCCN(C3CCCCC3)C2)cc(OC)c1
InChIInChI=1S/C22H34N2O3/c1-26-20-13-18(14-21(15-20)27-2)23-22(25)11-10-17-7-6-12-24(16-17)19-8-4-3-5-9-19/h13-15,17,19H,3-12,16H2,1-2H3,(H,23,25)
InChIKeyVFCNSRCKYBZWGB-UHFFFAOYSA-N
XLogP4.47
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827
3-(1-cyclohexylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 29022201
3-[(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26401672
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45243662
3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
CID 26395981
N-(3,5-dimethoxyphenyl)-3-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-3-yl]propanamide
CID 72934496
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
CID 25279941
N-(3,5-dimethoxyphenyl)-3-[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25457122
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide (CID 45202621) is 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CCC2CCCN(C3CCCCC3)C2)cc(OC)c1.
What is the InChIKey of 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is VFCNSRCKYBZWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-26-20-13-18(14-21(15-20)27-2)23-22(25)11-10-17-7-6-12-24(16-17)19-8-4-3-5-9-19/h13-15,17,19H,3-12,16H2,1-2H3,(H,23,25).
What are the key properties of 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide?
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 374.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 45202621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).