(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate

C25H25FN4O3 — CID 21352711

IUPAC(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1cccc(F)c1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25FN4O3/c26-20-5-3-4-19(16-20)24(31)28-22-6-1-2-7-23(22)29-25(32)33-17-18-10-14-30(15-11-18)21-8-12-27-13-9-21/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,28,31)(H,29,32)
InChIKeyJGSZVWDPPHAZEZ-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.94
Rot. Bonds6

About (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate

(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate (PubChem CID 21352711) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate
PubChem CID21352711
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate
SMILESO=C(Nc1ccccc1NC(=O)c1cccc(F)c1)OCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C25H25FN4O3/c26-20-5-3-4-19(16-20)24(31)28-22-6-1-2-7-23(22)29-25(32)33-17-18-10-14-30(15-11-18)21-8-12-27-13-9-21/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,28,31)(H,29,32)
InChIKeyJGSZVWDPPHAZEZ-UHFFFAOYSA-N
XLogP4.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.94
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-[(3-fluorobenzoyl)amino]phenyl]carbamate?
The IUPAC name of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate (CID 21352711) is (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate?
The canonical SMILES for (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate is O=C(Nc1ccccc1NC(=O)c1cccc(F)c1)OCC1CCN(c2ccncc2)CC1.
What is the InChIKey of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate?
The InChIKey is JGSZVWDPPHAZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c26-20-5-3-4-19(16-20)24(31)28-22-6-1-2-7-23(22)29-25(32)33-17-18-10-14-30(15-11-18)21-8-12-27-13-9-21/h1-9,12-13,16,18H,10-11,14-15,17H2,(H,28,31)(H,29,32).
What are the key properties of (1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate?
(1-pyridin-4-ylpiperidin-4-yl)methyl N-[2-[(3-fluorobenzoyl)amino]phenyl]carbamate has a molecular weight of 448.50 g/mol, XLogP of 4.94, 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-[(3-fluorobenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 21352711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).