1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

C19H22ClN3O — CID 43921898

IUPAC1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H22ClN3O/c20-18-6-2-1-4-16(18)13-23-11-3-5-17(14-23)19(24)22-12-15-7-9-21-10-8-15/h1-2,4,6-10,17H,3,5,11-14H2,(H,22,24)
InChIKeyLRDHUWPHABAAEL-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.26
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 43921898) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID43921898
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccncc1)C1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C19H22ClN3O/c20-18-6-2-1-4-16(18)13-23-11-3-5-17(14-23)19(24)22-12-15-7-9-21-10-8-15/h1-2,4,6-10,17H,3,5,11-14H2,(H,22,24)
InChIKeyLRDHUWPHABAAEL-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2-chlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 93489973
N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
N-benzyl-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43918749
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3R)-1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023181
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
(3S)-1-[(2-chlorophenyl)methyl]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 93491132

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide (CID 43921898) is 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccncc1)C1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is LRDHUWPHABAAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-18-6-2-1-4-16(18)13-23-11-3-5-17(14-23)19(24)22-12-15-7-9-21-10-8-15/h1-2,4,6-10,17H,3,5,11-14H2,(H,22,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 43921898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).