N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide

C19H21FN4O2 — CID 47815472

IUPACN-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-8-4-5-9-17(16)23-19(26)24-12-10-15(11-13-24)22-18(25)21-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,23,26)(H2,21,22,25)
InChIKeyWJCFXGXYEMJIMK-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.64
Rot. Bonds3

About N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide

N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide (PubChem CID 47815472) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
PubChem CID47815472
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O2/c20-16-8-4-5-9-17(16)23-19(26)24-12-10-15(11-13-24)22-18(25)21-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,23,26)(H2,21,22,25)
InChIKeyWJCFXGXYEMJIMK-UHFFFAOYSA-N
XLogP3.64
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437
1-[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 95051771
4-benzamido-N-(2,3-difluorophenyl)piperidine-1-carboxamide
CID 86856267
N-(2-fluorophenyl)-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 3218434
N-(2-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 62917965
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
1-(2-fluorophenyl)-3-[(3R)-1-phenylpyrrolidin-3-yl]urea
CID 95283122
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-(2-fluorophenyl)-3-piperidin-4-ylurea
CID 16785411
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide (CID 47815472) is N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide is O=C(Nc1ccccc1)NC1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The InChIKey is WJCFXGXYEMJIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-16-8-4-5-9-17(16)23-19(26)24-12-10-15(11-13-24)22-18(25)21-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,23,26)(H2,21,22,25).
What are the key properties of N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 47815472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).