N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

C21H24N4O4 — CID 136529041

IUPACN-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN(C(=O)c2ccncc2)C1)c1ccc(O)cc1
InChIInChI=1S/C21H24N4O4/c26-18-5-3-15(4-6-18)19(27)23-11-12-24-20(28)17-2-1-13-25(14-17)21(29)16-7-9-22-10-8-16/h3-10,17,26H,1-2,11-14H2,(H,23,27)(H,24,28)
InChIKeyWCZCHCIDOPQLSP-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.19
Rot. Bonds6

About N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide

N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 136529041) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID136529041
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCCNC(=O)C1CCCN(C(=O)c2ccncc2)C1)c1ccc(O)cc1
InChIInChI=1S/C21H24N4O4/c26-18-5-3-15(4-6-18)19(27)23-11-12-24-20(28)17-2-1-13-25(14-17)21(29)16-7-9-22-10-8-16/h3-10,17,26H,1-2,11-14H2,(H,23,27)(H,24,28)
InChIKeyWCZCHCIDOPQLSP-UHFFFAOYSA-N
XLogP1.19
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
1-(3,5-dimethylbenzoyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-3-carboxamide
CID 55878443
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 120603961
1-benzoyl-N-[2-(cycloheptylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119621206
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide (CID 136529041) is N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is O=C(NCCNC(=O)C1CCCN(C(=O)c2ccncc2)C1)c1ccc(O)cc1.
What is the InChIKey of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is WCZCHCIDOPQLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-18-5-3-15(4-6-18)19(27)23-11-12-24-20(28)17-2-1-13-25(14-17)21(29)16-7-9-22-10-8-16/h3-10,17,26H,1-2,11-14H2,(H,23,27)(H,24,28).
What are the key properties of N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide?
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 136529041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).