(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide

C20H21FN4O3 — CID 8870757

IUPAC(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-16-10-8-14(9-11-16)18(26)23-24-19(27)15-5-4-12-25(13-15)20(28)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,28)(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyPSFBMASWGJHUJL-HNNXBMFYSA-N
MW384.41 g/mol
LogP2.53
Rot. Bonds3

About (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide

(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 8870757) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
PubChem CID8870757
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-16-10-8-14(9-11-16)18(26)23-24-19(27)15-5-4-12-25(13-15)20(28)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,28)(H,23,26)(H,24,27)/t15-/m0/s1
InChIKeyPSFBMASWGJHUJL-HNNXBMFYSA-N
XLogP2.53
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3R)-1-(benzamidocarbamoyl)-N-phenylpiperidine-3-carboxamide
CID 51928183
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
3-N-[4-(cyclopropylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55489108
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 9085857
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide (CID 8870757) is (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide is O=C(NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is PSFBMASWGJHUJL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-16-10-8-14(9-11-16)18(26)23-24-19(27)15-5-4-12-25(13-15)20(28)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,28)(H,23,26)(H,24,27)/t15-/m0/s1.
What are the key properties of (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 8870757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).