4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide

C22H29N3O — CID 109216380

IUPAC4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCC(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)22(26)21-17-20(10-13-23-21)25-14-11-19(12-15-25)16-18-8-6-5-7-9-18/h5-10,13,17,19H,3-4,11-12,14-16H2,1-2H3
InChIKeyGVVMEFKHUMORPJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.02
Rot. Bonds6

About 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide

4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109216380) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
PubChem CID109216380
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCC(Cc3ccccc3)CC2)ccn1
InChIInChI=1S/C22H29N3O/c1-3-24(4-2)22(26)21-17-20(10-13-23-21)25-14-11-19(12-15-25)16-18-8-6-5-7-9-18/h5-10,13,17,19H,3-4,11-12,14-16H2,1-2H3
InChIKeyGVVMEFKHUMORPJ-UHFFFAOYSA-N
XLogP4.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831
6-(4-benzylpiperidin-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373405
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
N-benzyl-N-ethyl-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208871
N-benzyl-N-ethyl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109212514
4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide
CID 71553275
N,N-diethyl-4-[2-(hydroxymethyl)pyrrolidin-1-yl]pyridine-2-carboxamide
CID 61409424

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide (CID 109216380) is 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(N2CCC(Cc3ccccc3)CC2)ccn1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is GVVMEFKHUMORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-3-24(4-2)22(26)21-17-20(10-13-23-21)25-14-11-19(12-15-25)16-18-8-6-5-7-9-18/h5-10,13,17,19H,3-4,11-12,14-16H2,1-2H3.
What are the key properties of 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide?
4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109216380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).