4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide

C20H31FN4O2 — CID 126449328

IUPAC4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCC[C@@H]1CO)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H31FN4O2/c21-18-7-1-2-8-19(18)24-12-14-25(15-13-24)20(27)22-9-5-11-23-10-4-3-6-17(23)16-26/h1-2,7-8,17,26H,3-6,9-16H2,(H,22,27)/t17-/m1/s1
InChIKeyVENAXEKAVRTJNZ-QGZVFWFLSA-N
MW378.49 g/mol
LogP1.89
Rot. Bonds6

About 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide

4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide (PubChem CID 126449328) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
PubChem CID126449328
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Name4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide
SMILESO=C(NCCCN1CCCC[C@@H]1CO)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H31FN4O2/c21-18-7-1-2-8-19(18)24-12-14-25(15-13-24)20(27)22-9-5-11-23-10-4-3-6-17(23)16-26/h1-2,7-8,17,26H,3-6,9-16H2,(H,22,27)/t17-/m1/s1
InChIKeyVENAXEKAVRTJNZ-QGZVFWFLSA-N
XLogP1.89
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-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

4-(2-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 27534631
4-[[4-(2-fluorophenyl)-1,4-diazepane-1-carbonyl]amino]butanoic acid
CID 122022378
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 66794476
2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
CID 166307882
N-[2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-oxo-4-phenylpiperazine-1-carboxamide
CID 126453906
1-(4-chlorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]cyclopropane-1-carboxamide
CID 124754889
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
[1-(2-fluorophenyl)piperidin-2-yl]methanol
CID 68536498
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
[1-[2-[[1-(2-chlorophenyl)piperidin-4-yl]amino]ethyl]piperidin-2-yl]methanol
CID 131939705
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide (CID 126449328) is 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide is O=C(NCCCN1CCCC[C@@H]1CO)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide?
The InChIKey is VENAXEKAVRTJNZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H31FN4O2/c21-18-7-1-2-8-19(18)24-12-14-25(15-13-24)20(27)22-9-5-11-23-10-4-3-6-17(23)16-26/h1-2,7-8,17,26H,3-6,9-16H2,(H,22,27)/t17-/m1/s1.
What are the key properties of 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[3-[(2R)-2-(hydroxymethyl)piperidin-1-yl]propyl]piperazine-1-carboxamide is sourced from PubChem (CID 126449328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).