(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide

C21H23FN4O4 — CID 9085857

IUPAC(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(COc1ccccc1F)NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H23FN4O4/c22-17-10-4-5-11-18(17)30-14-19(27)24-25-20(28)15-7-6-12-26(13-15)21(29)23-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H,23,29)(H,24,27)(H,25,28)/t15-/m0/s1
InChIKeyYHUANKRDHFGGRT-HNNXBMFYSA-N
MW414.44 g/mol
LogP2.30
Rot. Bonds5

About (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide

(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 9085857) has the molecular formula C21H23FN4O4 and a molecular weight of 414.44 g/mol. Its IUPAC name is (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
PubChem CID9085857
Molecular FormulaC21H23FN4O4
Molecular Weight414.44 g/mol
Exact Mass414.17
IUPAC Name(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
SMILESO=C(COc1ccccc1F)NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H23FN4O4/c22-17-10-4-5-11-18(17)30-14-19(27)24-25-20(28)15-7-6-12-26(13-15)21(29)23-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H,23,29)(H,24,27)(H,25,28)/t15-/m0/s1
InChIKeyYHUANKRDHFGGRT-HNNXBMFYSA-N
XLogP2.30
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-3-[[[2-(2-cyanophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 9087992
4-[[2-(2-fluorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 51324417
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide (CID 9085857) is (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide is O=C(COc1ccccc1F)NNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is YHUANKRDHFGGRT-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23FN4O4/c22-17-10-4-5-11-18(17)30-14-19(27)24-25-20(28)15-7-6-12-26(13-15)21(29)23-16-8-2-1-3-9-16/h1-5,8-11,15H,6-7,12-14H2,(H,23,29)(H,24,27)(H,25,28)/t15-/m0/s1.
What are the key properties of (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide?
(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 9085857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).