N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide

C18H25FN2O — CID 119799474

IUPACN-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1(c2cccc(F)c2)CC1)C1CCNCC1
InChIInChI=1S/C18H25FN2O/c1-13(14-5-9-20-10-6-14)11-17(22)21-18(7-8-18)15-3-2-4-16(19)12-15/h2-4,12-14,20H,5-11H2,1H3,(H,21,22)
InChIKeyMFQRYSVLXLDRKP-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.96
Rot. Bonds5

About N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide

N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119799474) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
PubChem CID119799474
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1(c2cccc(F)c2)CC1)C1CCNCC1
InChIInChI=1S/C18H25FN2O/c1-13(14-5-9-20-10-6-14)11-17(22)21-18(7-8-18)15-3-2-4-16(19)12-15/h2-4,12-14,20H,5-11H2,1H3,(H,21,22)
InChIKeyMFQRYSVLXLDRKP-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119799463
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
2-chloro-N-[1-(3-fluorophenyl)cyclopropyl]acetamide
CID 166403981
N-[1-(4-fluorophenyl)cyclopentyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119752707
2,6-difluoro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119785718
(2S)-2-amino-N-[1-(3-fluorophenyl)cyclopropyl]propanamide
CID 119332670
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide (CID 119799474) is N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NC1(c2cccc(F)c2)CC1)C1CCNCC1.
What is the InChIKey of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is MFQRYSVLXLDRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-13(14-5-9-20-10-6-14)11-17(22)21-18(7-8-18)15-3-2-4-16(19)12-15/h2-4,12-14,20H,5-11H2,1H3,(H,21,22).
What are the key properties of N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide?
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 304.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119799474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).