N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

C23H27ClN2O4 — CID 108556459

IUPACN-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C23H27ClN2O4/c1-29-20-9-7-16(15-21(20)30-2)8-10-22(27)25-17-11-13-26(14-12-17)23(28)18-5-3-4-6-19(18)24/h3-7,9,15,17H,8,10-14H2,1-2H3,(H,25,27)
InChIKeySJNVGHZGXSRKTI-UHFFFAOYSA-N
MW430.93 g/mol
LogP3.71
Rot. Bonds7

About N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide

N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 108556459) has the molecular formula C23H27ClN2O4 and a molecular weight of 430.93 g/mol. Its IUPAC name is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID108556459
Molecular FormulaC23H27ClN2O4
Molecular Weight430.93 g/mol
Exact Mass430.17
IUPAC NameN-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC
InChIInChI=1S/C23H27ClN2O4/c1-29-20-9-7-16(15-21(20)30-2)8-10-22(27)25-17-11-13-26(14-12-17)23(28)18-5-3-4-6-19(18)24/h3-7,9,15,17H,8,10-14H2,1-2H3,(H,25,27)
InChIKeySJNVGHZGXSRKTI-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
2-(3,4-dimethoxyphenyl)-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]acetamide
CID 108558753
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 108545277
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 108556445
3-(3-chloro-4-methoxyphenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 60566295
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
CID 108556522

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide (CID 108556459) is N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3Cl)CC2)cc1OC.
What is the InChIKey of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is SJNVGHZGXSRKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4/c1-29-20-9-7-16(15-21(20)30-2)8-10-22(27)25-17-11-13-26(14-12-17)23(28)18-5-3-4-6-19(18)24/h3-7,9,15,17H,8,10-14H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide?
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 430.93 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 108556459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).