2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide

C19H22ClN3O — CID 16895962

IUPAC2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O/c20-18-4-2-1-3-17(18)19(24)22-13-15-7-11-23(12-8-15)14-16-5-9-21-10-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,22,24)
InChIKeyNUVFOFUWEAWRTH-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.38
Rot. Bonds5

About 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide

2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895962) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895962
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(Cc2ccncc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H22ClN3O/c20-18-4-2-1-3-17(18)19(24)22-13-15-7-11-23(12-8-15)14-16-5-9-21-10-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,22,24)
InChIKeyNUVFOFUWEAWRTH-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895942
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
5-bromo-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895958
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
4-chloro-3-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895983
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 47920766
2-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-1H-pyrrole-2,4-dicarboxamide
CID 138036300
5-(aminomethyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 166243194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide (CID 16895962) is 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(Cc2ccncc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is NUVFOFUWEAWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-18-4-2-1-3-17(18)19(24)22-13-15-7-11-23(12-8-15)14-16-5-9-21-10-6-16/h1-6,9-10,15H,7-8,11-14H2,(H,22,24).
What are the key properties of 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide?
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 343.86 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).