(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide

C21H29FN4O — CID 125444012

IUPAC(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)NCCCc1ccccc1F
InChIInChI=1S/C21H29FN4O/c1-17-23-13-16-25(17)15-11-19-9-4-5-14-26(19)21(27)24-12-6-8-18-7-2-3-10-20(18)22/h2-3,7,10,13,16,19H,4-6,8-9,11-12,14-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyQTZNUIXZHKZSFR-IBGZPJMESA-N
MW372.49 g/mol
LogP3.92
Rot. Bonds7

About (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide

(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 125444012) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID125444012
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)NCCCc1ccccc1F
InChIInChI=1S/C21H29FN4O/c1-17-23-13-16-25(17)15-11-19-9-4-5-14-26(19)21(27)24-12-6-8-18-7-2-3-10-20(18)22/h2-3,7,10,13,16,19H,4-6,8-9,11-12,14-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyQTZNUIXZHKZSFR-IBGZPJMESA-N
XLogP3.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 126448080
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
3-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 94612882
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821
[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574820
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 97281863
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
N-butyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]piperidine-1-carboxamide;dihydrochloride
CID 134118087

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide (CID 125444012) is (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide is Cc1nccn1CC[C@@H]1CCCCN1C(=O)NCCCc1ccccc1F.
What is the InChIKey of (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is QTZNUIXZHKZSFR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29FN4O/c1-17-23-13-16-25(17)15-11-19-9-4-5-14-26(19)21(27)24-12-6-8-18-7-2-3-10-20(18)22/h2-3,7,10,13,16,19H,4-6,8-9,11-12,14-15H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide?
(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 125444012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).