1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide

C16H28F3N3O2 — CID 120813589

IUPAC1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCCC1
InChIInChI=1S/C16H28F3N3O2/c1-24-11-6-15(4-2-3-5-15)14(23)21-12-13(16(17,18)19)22-9-7-20-8-10-22/h13,20H,2-12H2,1H3,(H,21,23)
InChIKeyZYTITSMLDPDQQI-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.54
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide

1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide (PubChem CID 120813589) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
PubChem CID120813589
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC Name1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
SMILESCOCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCCC1
InChIInChI=1S/C16H28F3N3O2/c1-24-11-6-15(4-2-3-5-15)14(23)21-12-13(16(17,18)19)22-9-7-20-8-10-22/h13,20H,2-12H2,1H3,(H,21,23)
InChIKeyZYTITSMLDPDQQI-UHFFFAOYSA-N
XLogP1.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 71918636
N-(3-amino-2,2-difluoropropyl)-1-(2-methoxyethyl)cyclopentane-1-carboxamide
CID 120409878
1-ethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide
CID 120810645
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 120812302
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutane-1-carboxamide
CID 120812303
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 120813588
N-[1-oxo-1-[5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecan-2-yl]propan-2-yl]cyclopentanecarboxamide
CID 128665718
1-(2-ethoxyethyl)-N-(1-methyl-6-oxopiperidin-3-yl)cyclopentane-1-carboxamide
CID 71916750
1-(2-ethoxyethyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide
CID 97100974
1-(2-ethoxyethyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]cyclopentane-1-carboxamide
CID 97100975
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 105565902
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119339889

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide (CID 120813589) is 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide is COCCC1(C(=O)NCC(N2CCNCC2)C(F)(F)F)CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
The InChIKey is ZYTITSMLDPDQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-24-11-6-15(4-2-3-5-15)14(23)21-12-13(16(17,18)19)22-9-7-20-8-10-22/h13,20H,2-12H2,1H3,(H,21,23).
What are the key properties of 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide?
1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 120813589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).