N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide

C20H27FN2O2 — CID 110822698

IUPACN-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2F)CC1)C1CCCC1
InChIInChI=1S/C20H27FN2O2/c21-18-8-4-3-5-15(18)9-10-19(24)23-13-11-17(12-14-23)22-20(25)16-6-1-2-7-16/h3-5,8,16-17H,1-2,6-7,9-14H2,(H,22,25)
InChIKeySAMOQVZFIVDVMP-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.06
Rot. Bonds5

About N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide

N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide (PubChem CID 110822698) has the molecular formula C20H27FN2O2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
PubChem CID110822698
Molecular FormulaC20H27FN2O2
Molecular Weight346.45 g/mol
Exact Mass346.21
IUPAC NameN-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccccc2F)CC1)C1CCCC1
InChIInChI=1S/C20H27FN2O2/c21-18-8-4-3-5-15(18)9-10-19(24)23-13-11-17(12-14-23)22-20(25)16-6-1-2-7-16/h3-5,8,16-17H,1-2,6-7,9-14H2,(H,22,25)
InChIKeySAMOQVZFIVDVMP-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-3-propylurea
CID 110822705
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(2-fluorophenyl)propanamide
CID 110819444
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide (CID 110822698) is N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide is O=C(NC1CCN(C(=O)CCc2ccccc2F)CC1)C1CCCC1.
What is the InChIKey of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide?
The InChIKey is SAMOQVZFIVDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O2/c21-18-8-4-3-5-15(18)9-10-19(24)23-13-11-17(12-14-23)22-20(25)16-6-1-2-7-16/h3-5,8,16-17H,1-2,6-7,9-14H2,(H,22,25).
What are the key properties of N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide?
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 110822698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).