4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide

C21H30FN3O2 — CID 60547818

IUPAC4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCO1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H30FN3O2/c22-17-9-7-16(8-10-17)20(19-6-3-15-27-19)23-21(26)25-13-11-24(12-14-25)18-4-1-2-5-18/h7-10,18-20H,1-6,11-15H2,(H,23,26)
InChIKeyWPBJTMBPDLFERQ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.32
Rot. Bonds4

About 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide

4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 60547818) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
PubChem CID60547818
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide
SMILESO=C(NC(c1ccc(F)cc1)C1CCCO1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H30FN3O2/c22-17-9-7-16(8-10-17)20(19-6-3-15-27-19)23-21(26)25-13-11-24(12-14-25)18-4-1-2-5-18/h7-10,18-20H,1-6,11-15H2,(H,23,26)
InChIKeyWPBJTMBPDLFERQ-UHFFFAOYSA-N
XLogP3.32
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-methylsulfonylazepane-1-carboxamide
CID 167769059
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60547964
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 60547934
ethyl 1-[[(4-fluorophenyl)-(oxolan-2-yl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60547795
1-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 75416372
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-4-morpholin-4-ylbenzamide
CID 95047787
1-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 94666700
(3S)-3-N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]piperidine-1,3-dicarboxamide
CID 124739346
1-(cyclopropylmethyl)-3-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]urea
CID 94666558
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 94633539
N-[(R)-(4-fluorophenyl)-[(2S)-oxolan-2-yl]methyl]-1H-pyrazole-5-carboxamide
CID 94633704
4-(4-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]piperazine-1-carboxamide
CID 134006673

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide (CID 60547818) is 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide is O=C(NC(c1ccc(F)cc1)C1CCCO1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is WPBJTMBPDLFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c22-17-9-7-16(8-10-17)20(19-6-3-15-27-19)23-21(26)25-13-11-24(12-14-25)18-4-1-2-5-18/h7-10,18-20H,1-6,11-15H2,(H,23,26).
What are the key properties of 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 375.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60547818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).