N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide

C20H31FN4O2 — CID 119062734

IUPACN-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C20H31FN4O2/c21-19-4-2-1-3-17(19)5-8-22-20(27)25-9-6-18(7-10-25)24-13-11-23(12-14-24)15-16-26/h1-4,18,26H,5-16H2,(H,22,27)
InChIKeyODFWHSACQKDMBZ-UHFFFAOYSA-N
MW378.49 g/mol
LogP1.15
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide

N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide (PubChem CID 119062734) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
PubChem CID119062734
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCC(N2CCN(CCO)CC2)CC1
InChIInChI=1S/C20H31FN4O2/c21-19-4-2-1-3-17(19)5-8-22-20(27)25-9-6-18(7-10-25)24-13-11-23(12-14-24)15-16-26/h1-4,18,26H,5-16H2,(H,22,27)
InChIKeyODFWHSACQKDMBZ-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
N-[2-(2-fluorophenyl)ethyl]-4-propylpiperazine-1-carboxamide
CID 113103148
N-[2-(2-fluorophenyl)ethyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109022
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
N-[(2,3-dimethylphenyl)methyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide;formic acid
CID 154906520
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
4-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 122570435
N-[2-(2-fluorophenyl)ethyl]-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 87000022
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide (CID 119062734) is N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide is O=C(NCCc1ccccc1F)N1CCC(N2CCN(CCO)CC2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide?
The InChIKey is ODFWHSACQKDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2/c21-19-4-2-1-3-17(19)5-8-22-20(27)25-9-6-18(7-10-25)24-13-11-23(12-14-24)15-16-26/h1-4,18,26H,5-16H2,(H,22,27).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-[4-(2-hydroxyethyl)piperazin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 119062734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).