(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate

C25H26N4O3 — CID 21352729

IUPAC(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1ccccc1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H26N4O3/c30-24(20-6-2-1-3-7-20)27-22-8-4-5-9-23(22)28-25(31)32-18-19-12-16-29(17-13-19)21-10-14-26-15-11-21/h1-11,14-15,19H,12-13,16-18H2,(H,27,30)(H,28,31)
InChIKeyFGLZIEUYPJGIAH-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.80
Rot. Bonds6

About (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate

(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate (PubChem CID 21352729) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate
PubChem CID21352729
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1ccccc1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H26N4O3/c30-24(20-6-2-1-3-7-20)27-22-8-4-5-9-23(22)28-25(31)32-18-19-12-16-29(17-13-19)21-10-14-26-15-11-21/h1-11,14-15,19H,12-13,16-18H2,(H,27,30)(H,28,31)
InChIKeyFGLZIEUYPJGIAH-UHFFFAOYSA-N
XLogP4.80
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate (CID 21352729) is (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate is O=C(Nc1ccccc1NC(=O)c1ccccc1)OCC1CCN(c2ccncc2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate?
The InChIKey is FGLZIEUYPJGIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24(20-6-2-1-3-7-20)27-22-8-4-5-9-23(22)28-25(31)32-18-19-12-16-29(17-13-19)21-10-14-26-15-11-21/h1-11,14-15,19H,12-13,16-18H2,(H,27,30)(H,28,31).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate?
(1-pyridin-4-ylpiperidin-4-yl)methyl N-(2-benzamidophenyl)carbamate has a molecular weight of 430.51 g/mol, XLogP of 4.80, 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-benzamidophenyl)carbamate is sourced from PubChem (CID 21352729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).