1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide

C17H23FN4O2 — CID 124997732

IUPAC1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CN(c3ccc(F)cc3)CCN2)CC1
InChIInChI=1S/C17H23FN4O2/c18-13-1-3-14(4-2-13)22-10-7-20-15(11-22)17(24)21-8-5-12(6-9-21)16(19)23/h1-4,12,15,20H,5-11H2,(H2,19,23)/t15-/m0/s1
InChIKeyRCNYSIPOPVNSRS-HNNXBMFYSA-N
MW334.39 g/mol
LogP0.33
Rot. Bonds3

About 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide

1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 124997732) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
PubChem CID124997732
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@@H]2CN(c3ccc(F)cc3)CCN2)CC1
InChIInChI=1S/C17H23FN4O2/c18-13-1-3-14(4-2-13)22-10-7-20-15(11-22)17(24)21-8-5-12(6-9-21)16(19)23/h1-4,12,15,20H,5-11H2,(H2,19,23)/t15-/m0/s1
InChIKeyRCNYSIPOPVNSRS-HNNXBMFYSA-N
XLogP0.33
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)piperazin-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110086724
(4-hydroxypiperidin-1-yl)-[(2S)-4-(4-methoxyphenyl)piperazin-2-yl]methanone
CID 124983561
[4-(4-fluorophenyl)piperazin-1-yl]-[(2R)-4-propan-2-ylpiperazin-2-yl]methanone
CID 59845995
N-cyclobutyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086727
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 7175999
[(2R)-4-(5-fluoropyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 95721720
[4-(4-fluorophenyl)piperazin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
CID 119827491
1-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-1,3-dicarboxamide
CID 56819732
(4-fluorophenyl)-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]methanone
CID 50852464
(2R)-4-(4-fluorophenyl)-N-(oxan-4-ylmethyl)piperazine-2-carboxamide
CID 125009047
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide (CID 124997732) is 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)[C@@H]2CN(c3ccc(F)cc3)CCN2)CC1.
What is the InChIKey of 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is RCNYSIPOPVNSRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-13-1-3-14(4-2-13)22-10-7-20-15(11-22)17(24)21-8-5-12(6-9-21)16(19)23/h1-4,12,15,20H,5-11H2,(H2,19,23)/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide?
1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 334.39 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(4-fluorophenyl)piperazine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 124997732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).