3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide

C18H22ClN3O2 — CID 108922236

IUPAC3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
SMILESN#CCC(=O)N1CCC(CNC(=O)CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-16-3-1-2-14(12-16)4-5-17(23)21-13-15-7-10-22(11-8-15)18(24)6-9-20/h1-3,12,15H,4-8,10-11,13H2,(H,21,23)
InChIKeyBVOLJSFSSAKCOA-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.54
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide

3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide (PubChem CID 108922236) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
PubChem CID108922236
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
SMILESN#CCC(=O)N1CCC(CNC(=O)CCc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H22ClN3O2/c19-16-3-1-2-14(12-16)4-5-17(23)21-13-15-7-10-22(11-8-15)18(24)6-9-20/h1-3,12,15H,4-8,10-11,13H2,(H,21,23)
InChIKeyBVOLJSFSSAKCOA-UHFFFAOYSA-N
XLogP2.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922209
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108922222
[4-[4-[[3-(3-chlorophenyl)propanoylamino]methyl]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930194
N-[[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922215
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108922060
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide
CID 108922214
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methoxypropanamide
CID 108922134
2-cyano-N-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922055
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide
CID 108922132
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 108922106
2-chloro-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-6-fluorobenzamide
CID 108922186

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide (CID 108922236) is 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide is N#CCC(=O)N1CCC(CNC(=O)CCc2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is BVOLJSFSSAKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-16-3-1-2-14(12-16)4-5-17(23)21-13-15-7-10-22(11-8-15)18(24)6-9-20/h1-3,12,15H,4-8,10-11,13H2,(H,21,23).
What are the key properties of 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide?
3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 347.85 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 108922236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).