N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide

C20H27FN2O2 — CID 91842555

IUPACN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C20H27FN2O2/c21-17-7-5-6-16(14-17)20(10-2-3-11-20)15-22-18(24)9-13-23-12-4-1-8-19(23)25/h5-7,14H,1-4,8-13,15H2,(H,22,24)
InChIKeyNIIKIHVNSGQMJZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.16
Rot. Bonds6

About N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 91842555) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID91842555
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCCCC1=O)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C20H27FN2O2/c21-17-7-5-6-16(14-17)20(10-2-3-11-20)15-22-18(24)9-13-23-12-4-1-8-19(23)25/h5-7,14H,1-4,8-13,15H2,(H,22,24)
InChIKeyNIIKIHVNSGQMJZ-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
CID 30875236
N-[[1-(3-fluorophenyl)cyclohexyl]methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 47921613
2-(3-fluorophenoxy)-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
CID 110722805
N-(3-fluorophenyl)-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzamide
CID 55887711
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46972124
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 118776703
N-[(1-methylcyclopentyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131926304

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide (CID 91842555) is N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide is O=C(CCN1CCCCC1=O)NCC1(c2cccc(F)c2)CCCC1.
What is the InChIKey of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is NIIKIHVNSGQMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-17-7-5-6-16(14-17)20(10-2-3-11-20)15-22-18(24)9-13-23-12-4-1-8-19(23)25/h5-7,14H,1-4,8-13,15H2,(H,22,24).
What are the key properties of N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 346.45 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 91842555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).