N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide

C26H33N5O — CID 129105203

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccnc(N(CCC2CCN(Cc3ccccc3)CC2)C(=O)C2CCNCC2)c1
InChIInChI=1S/C26H33N5O/c27-19-23-6-14-29-25(18-23)31(26(32)24-7-12-28-13-8-24)17-11-21-9-15-30(16-10-21)20-22-4-2-1-3-5-22/h1-6,14,18,21,24,28H,7-13,15-17,20H2
InChIKeyMKOKTGLBESVDQU-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.59
Rot. Bonds7

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 129105203) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide
PubChem CID129105203
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide
SMILESN#Cc1ccnc(N(CCC2CCN(Cc3ccccc3)CC2)C(=O)C2CCNCC2)c1
InChIInChI=1S/C26H33N5O/c27-19-23-6-14-29-25(18-23)31(26(32)24-7-12-28-13-8-24)17-11-21-9-15-30(16-10-21)20-22-4-2-1-3-5-22/h1-6,14,18,21,24,28H,7-13,15-17,20H2
InChIKeyMKOKTGLBESVDQU-UHFFFAOYSA-N
XLogP3.59
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(3-cyano-4-fluorophenyl)piperidine-4-carboxamide
CID 129105409
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-[3-methyl-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105436
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170
N-[2-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]-N-[3-cyano-4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 129105191
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
N-(2-piperazin-1-ylethyl)-N-pyridin-2-ylcyclohexanecarboxamide
CID 23170136
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
4-[[4-[2-[5-[(4-benzylphenyl)methyl]-2-pyridinyl]-2-oxoethyl]piperidin-1-yl]methyl]benzonitrile
CID 58073267
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 56983782

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide (CID 129105203) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide is N#Cc1ccnc(N(CCC2CCN(Cc3ccccc3)CC2)C(=O)C2CCNCC2)c1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is MKOKTGLBESVDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c27-19-23-6-14-29-25(18-23)31(26(32)24-7-12-28-13-8-24)17-11-21-9-15-30(16-10-21)20-22-4-2-1-3-5-22/h1-6,14,18,21,24,28H,7-13,15-17,20H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-(4-cyano-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 129105203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).