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

C21H23ClN4O — CID 72855594

IUPACN-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide
SMILESN#Cc1ccnc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H23ClN4O/c22-19-3-1-2-18(12-19)15-25-21(27)5-4-16-7-10-26(11-8-16)20-13-17(14-23)6-9-24-20/h1-3,6,9,12-13,16H,4-5,7-8,10-11,15H2,(H,25,27)
InChIKeyAKLXWPZQFWUGSS-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.92
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide (PubChem CID 72855594) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide
PubChem CID72855594
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide
SMILESN#Cc1ccnc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H23ClN4O/c22-19-3-1-2-18(12-19)15-25-21(27)5-4-16-7-10-26(11-8-16)20-13-17(14-23)6-9-24-20/h1-3,6,9,12-13,16H,4-5,7-8,10-11,15H2,(H,25,27)
InChIKeyAKLXWPZQFWUGSS-UHFFFAOYSA-N
XLogP3.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[1-(6-methylpyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 42159544
N-[(3-chlorophenyl)methyl]-3-[1-(1,4-dithiepan-6-yl)piperidin-4-yl]propanamide
CID 42507954
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53188636
methyl 4-[4-[3-[(3-chlorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 26325736
N-[(3-chlorophenyl)methyl]-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]propanamide
CID 56702414
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
N-[(3-chlorophenyl)methyl]-3-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]propanamide
CID 25283323
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
3-[1-[(1R,2S,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 42114617
N-[(3-chlorophenyl)methyl]-2-(3-cyanophenoxy)acetamide
CID 7963971
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide (CID 72855594) is N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide is N#Cc1ccnc(N2CCC(CCC(=O)NCc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide?
The InChIKey is AKLXWPZQFWUGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-19-3-1-2-18(12-19)15-25-21(27)5-4-16-7-10-26(11-8-16)20-13-17(14-23)6-9-24-20/h1-3,6,9,12-13,16H,4-5,7-8,10-11,15H2,(H,25,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide?
N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide has a molecular weight of 382.90 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[1-(4-cyano-2-pyridinyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72855594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).