3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide

C23H27ClN2O4 — CID 26395981

IUPAC3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1
InChIInChI=1S/C23H27ClN2O4/c1-29-20-12-19(13-21(14-20)30-2)25-22(27)9-8-16-5-4-10-26(15-16)23(28)17-6-3-7-18(24)11-17/h3,6-7,11-14,16H,4-5,8-10,15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyXPCGYVGLWJFHEU-INIZCTEOSA-N
MW430.93 g/mol
LogP4.63
Rot. Bonds7

About 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide

3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide (PubChem CID 26395981) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
PubChem CID26395981
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC Name3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1
InChIInChI=1S/C23H27ClN2O4/c1-29-20-12-19(13-21(14-20)30-2)25-22(27)9-8-16-5-4-10-26(15-16)23(28)17-6-3-7-18(24)11-17/h3,6-7,11-14,16H,4-5,8-10,15H2,1-2H3,(H,25,27)/t16-/m0/s1
InChIKeyXPCGYVGLWJFHEU-INIZCTEOSA-N
XLogP4.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.93
LogP ≤ 54.63
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
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 25274792
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-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 42517122
N-(3,5-dimethoxyphenyl)-3-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 45243662
3-(1-cyclohexylpiperidin-3-yl)-N-(3,5-dimethoxyphenyl)propanamide
CID 45202621
[3-[[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 92900752
N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[3-(oxazinan-2-yl)propanoyl]piperidin-3-yl]propanamide
CID 25279941
3-(1-benzoylpiperidin-4-yl)-N-(3-methoxyphenyl)propanamide
CID 91903809
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
3-[1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 70763395
3-[(3R)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283407

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The IUPAC name of 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide (CID 26395981) is 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide is COc1cc(NC(=O)CC[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cc(OC)c1.
What is the InChIKey of 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
The InChIKey is XPCGYVGLWJFHEU-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-29-20-12-19(13-21(14-20)30-2)25-22(27)9-8-16-5-4-10-26(15-16)23(28)17-6-3-7-18(24)11-17/h3,6-7,11-14,16H,4-5,8-10,15H2,1-2H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide?
3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide has a molecular weight of 430.93 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(3-chlorobenzoyl)piperidin-3-yl]-N-(3,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 26395981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).