1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide

C16H21ClN2O4 — CID 6466145

IUPAC1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(C)=O)CC2)c(OC)cc1Cl
InChIInChI=1S/C16H21ClN2O4/c1-10(20)19-6-4-11(5-7-19)16(21)18-13-9-14(22-2)12(17)8-15(13)23-3/h8-9,11H,4-7H2,1-3H3,(H,18,21)
InChIKeyFQQITRTXXJYXJZ-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.55
Rot. Bonds4

About 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide

1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 6466145) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
PubChem CID6466145
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(C)=O)CC2)c(OC)cc1Cl
InChIInChI=1S/C16H21ClN2O4/c1-10(20)19-6-4-11(5-7-19)16(21)18-13-9-14(22-2)12(17)8-15(13)23-3/h8-9,11H,4-7H2,1-3H3,(H,18,21)
InChIKeyFQQITRTXXJYXJZ-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
N-(4-chloro-2,5-dimethoxyphenyl)thiane-4-carboxamide
CID 110864457
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
1-acetyl-N-(4-methoxy-2,3-dimethylphenyl)piperidine-4-carboxamide
CID 110792941
4-(4-acetylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxobutanamide
CID 9162779
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 1072822
4-N-(4-chloro-2,5-dimethoxyphenyl)-1-N-(2-methylpropyl)cyclohexane-1,4-dicarboxamide
CID 109145385
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964118
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 45012607
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide (CID 6466145) is 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(C(C)=O)CC2)c(OC)cc1Cl.
What is the InChIKey of 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is FQQITRTXXJYXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-10(20)19-6-4-11(5-7-19)16(21)18-13-9-14(22-2)12(17)8-15(13)23-3/h8-9,11H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide?
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 6466145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).