N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C23H28N4O2 — CID 37070969

IUPACN-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(25-20-6-8-21(9-7-20)26-13-2-1-3-14-26)18-10-15-27(16-11-18)23(29)19-5-4-12-24-17-19/h4-9,12,17-18H,1-3,10-11,13-16H2,(H,25,28)
InChIKeyTVMUSORXIFVNRS-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.56
Rot. Bonds4

About N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 37070969) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID37070969
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C23H28N4O2/c28-22(25-20-6-8-21(9-7-20)26-13-2-1-3-14-26)18-10-15-27(16-11-18)23(29)19-5-4-12-24-17-19/h4-9,12,17-18H,1-3,10-11,13-16H2,(H,25,28)
InChIKeyTVMUSORXIFVNRS-UHFFFAOYSA-N
XLogP3.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
1-(pyridine-3-carbonyl)piperidine-4-carbohydrazide
CID 54794112
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
N-[3-(azepan-1-yl)-4-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 157036100
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-butan-2-yl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113002848

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 37070969) is N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is TVMUSORXIFVNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-22(25-20-6-8-21(9-7-20)26-13-2-1-3-14-26)18-10-15-27(16-11-18)23(29)19-5-4-12-24-17-19/h4-9,12,17-18H,1-3,10-11,13-16H2,(H,25,28).
What are the key properties of N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 37070969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).