(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate

C25H25ClN4O4 — CID 21352718

IUPAC(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate
SMILESO=C(Nc1cc(O)ccc1NC(=O)c1ccc(Cl)cc1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25ClN4O4/c26-19-3-1-18(2-4-19)24(32)28-22-6-5-21(31)15-23(22)29-25(33)34-16-17-9-13-30(14-10-17)20-7-11-27-12-8-20/h1-8,11-12,15,17,31H,9-10,13-14,16H2,(H,28,32)(H,29,33)
InChIKeyOTSRLYBQXPEMNU-UHFFFAOYSA-N
MW480.95 g/mol
LogP5.16
Rot. Bonds6

About (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate

(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate (PubChem CID 21352718) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate
PubChem CID21352718
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate
SMILESO=C(Nc1cc(O)ccc1NC(=O)c1ccc(Cl)cc1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25ClN4O4/c26-19-3-1-18(2-4-19)24(32)28-22-6-5-21(31)15-23(22)29-25(33)34-16-17-9-13-30(14-10-17)20-7-11-27-12-8-20/h1-8,11-12,15,17,31H,9-10,13-14,16H2,(H,28,32)(H,29,33)
InChIKeyOTSRLYBQXPEMNU-UHFFFAOYSA-N
XLogP5.16
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.95
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate 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

(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluoro-4-methylbenzoyl)amino]phenyl]carbamate
CID 21352710
4-methoxy-N-[2-[(1-pyridin-4-ylpiperidin-4-yl)methylcarbamoylamino]phenyl]benzamide
CID 10600007
5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 50782912
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
4-chloro-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]benzamide
CID 91624801
bis((1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-(benzylamino)anilino]carbamate);hydrate;dihydrochloride
CID 131724024
4-chloro-N-[[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]benzamide
CID 53181025
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-(5-chloro-2-pyridinyl)-5-(methanesulfonamido)-2-[(1-pyridin-4-ylpiperidin-4-yl)methylamino]benzamide
CID 20598037
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-amino-6-(cyclohexene-1-carbonyl)phenyl]carbamate;hydrochloride
CID 70032457
2-(4-chlorophenoxy)-2-methyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]propanamide
CID 86263583
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate (CID 21352718) is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate is O=C(Nc1cc(O)ccc1NC(=O)c1ccc(Cl)cc1)OCC1CCN(c2ccncc2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate?
The InChIKey is OTSRLYBQXPEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4/c26-19-3-1-18(2-4-19)24(32)28-22-6-5-21(31)15-23(22)29-25(33)34-16-17-9-13-30(14-10-17)20-7-11-27-12-8-20/h1-8,11-12,15,17,31H,9-10,13-14,16H2,(H,28,32)(H,29,33).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate?
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate has a molecular weight of 480.95 g/mol, XLogP of 5.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-chlorobenzoyl)amino]-5-hydroxyphenyl]carbamate is sourced from PubChem (CID 21352718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).