(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate

C25H25BrN4O3 — CID 21352715

IUPAC(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(Br)cc1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25BrN4O3/c26-20-7-5-19(6-8-20)24(31)28-22-3-1-2-4-23(22)29-25(32)33-17-18-11-15-30(16-12-18)21-9-13-27-14-10-21/h1-10,13-14,18H,11-12,15-17H2,(H,28,31)(H,29,32)
InChIKeyXFQGWDFMPJLCBW-UHFFFAOYSA-N
MW509.40 g/mol
LogP5.56
Rot. Bonds6

About (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate

(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate (PubChem CID 21352715) has the molecular formula C25H25BrN4O3 and a molecular weight of 509.40 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate
PubChem CID21352715
Molecular FormulaC25H25BrN4O3
Molecular Weight509.40 g/mol
Exact Mass508.11
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(Br)cc1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25BrN4O3/c26-20-7-5-19(6-8-20)24(31)28-22-3-1-2-4-23(22)29-25(32)33-17-18-11-15-30(16-12-18)21-9-13-27-14-10-21/h1-10,13-14,18H,11-12,15-17H2,(H,28,31)(H,29,32)
InChIKeyXFQGWDFMPJLCBW-UHFFFAOYSA-N
XLogP5.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate (CID 21352715) is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate is O=C(Nc1ccccc1NC(=O)c1ccc(Br)cc1)OCC1CCN(c2ccncc2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate?
The InChIKey is XFQGWDFMPJLCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O3/c26-20-7-5-19(6-8-20)24(31)28-22-3-1-2-4-23(22)29-25(32)33-17-18-11-15-30(16-12-18)21-9-13-27-14-10-21/h1-10,13-14,18H,11-12,15-17H2,(H,28,31)(H,29,32).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate?
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate has a molecular weight of 509.40 g/mol, XLogP of 5.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(4-bromobenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 21352715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).