N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide

C26H27N5O3 — CID 58899814

IUPACN-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)cc1
InChIInChI=1S/C26H27N5O3/c1-19(32)20-3-7-22(8-4-20)28-26(34)31-17-15-30(16-18-31)25(33)21-5-9-23(10-6-21)29(2)24-11-13-27-14-12-24/h3-14H,15-18H2,1-2H3,(H,28,34)
InChIKeyGRGFINXFAPTFIQ-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.04
Rot. Bonds5

About N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide

N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (PubChem CID 58899814) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
PubChem CID58899814
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)cc1
InChIInChI=1S/C26H27N5O3/c1-19(32)20-3-7-22(8-4-20)28-26(34)31-17-15-30(16-18-31)25(33)21-5-9-23(10-6-21)29(2)24-11-13-27-14-12-24/h3-14H,15-18H2,1-2H3,(H,28,34)
InChIKeyGRGFINXFAPTFIQ-UHFFFAOYSA-N
XLogP4.04
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 58899705
N-(4-acetylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86920409
N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899757
N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 143496573
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 58899714
N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899819
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-(4-acetylphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2204977
N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide
CID 23582885
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-(2,4-dimethylphenyl)formamide;(4-methylpiperazin-1-yl)-[4-[methyl(pyridin-4-yl)amino]phenyl]methanone
CID 143496568

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide (CID 58899814) is N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCN(C(=O)c3ccc(N(C)c4ccncc4)cc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
The InChIKey is GRGFINXFAPTFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-19(32)20-3-7-22(8-4-20)28-26(34)31-17-15-30(16-18-31)25(33)21-5-9-23(10-6-21)29(2)24-11-13-27-14-12-24/h3-14H,15-18H2,1-2H3,(H,28,34).
What are the key properties of N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide?
N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide is sourced from PubChem (CID 58899814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).