N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide

C18H20ClN3O — CID 51239202

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1
InChIInChI=1S/C18H20ClN3O/c19-16-3-1-14(2-4-16)13-22-11-7-17(8-12-22)21-18(23)15-5-9-20-10-6-15/h1-6,9-10,17H,7-8,11-13H2,(H,21,23)
InChIKeyKFXYWQNJWWSKPY-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.13
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 51239202) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
PubChem CID51239202
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1
InChIInChI=1S/C18H20ClN3O/c19-16-3-1-14(2-4-16)13-22-11-7-17(8-12-22)21-18(23)15-5-9-20-10-6-15/h1-6,9-10,17H,7-8,11-13H2,(H,21,23)
InChIKeyKFXYWQNJWWSKPY-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 74232856
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24504177
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide (CID 51239202) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccncc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is KFXYWQNJWWSKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-3-1-14(2-4-16)13-22-11-7-17(8-12-22)21-18(23)15-5-9-20-10-6-15/h1-6,9-10,17H,7-8,11-13H2,(H,21,23).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 51239202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).