4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide

C18H25N5O — CID 48957087

IUPAC4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C18H25N5O/c19-13-15-3-11-23(12-4-15)18(24)21-17-5-9-22(10-6-17)14-16-1-7-20-8-2-16/h1-2,7-8,15,17H,3-6,9-12,14H2,(H,21,24)
InChIKeyDDTYURQIPDOVMH-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.99
Rot. Bonds3

About 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide

4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 48957087) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
PubChem CID48957087
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1
InChIInChI=1S/C18H25N5O/c19-13-15-3-11-23(12-4-15)18(24)21-17-5-9-22(10-6-17)14-16-1-7-20-8-2-16/h1-2,7-8,15,17H,3-6,9-12,14H2,(H,21,24)
InChIKeyDDTYURQIPDOVMH-UHFFFAOYSA-N
XLogP1.99
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
2-methoxy-2-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 136524347
(2S)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129368215
ethyl 4-[[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]amino]piperidine-1-carboxylate
CID 55457022
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
1-methyl-2-oxo-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
CID 146136552
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
N-[(1S,3R)-3-ethylsulfanylcyclopentyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 95969206
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide (CID 48957087) is 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide is N#CC1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1.
What is the InChIKey of 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide?
The InChIKey is DDTYURQIPDOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c19-13-15-3-11-23(12-4-15)18(24)21-17-5-9-22(10-6-17)14-16-1-7-20-8-2-16/h1-2,7-8,15,17H,3-6,9-12,14H2,(H,21,24).
What are the key properties of 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide?
4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 48957087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).