N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C20H29FN2O — CID 16673287

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)C2(c3ccccc3F)CC2)C1
InChIInChI=1S/C20H29FN2O/c1-15-12-16(2)14-23(13-15)11-5-10-22-19(24)20(8-9-20)17-6-3-4-7-18(17)21/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,22,24)
InChIKeyQPJZLXZAPXADBO-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.34
Rot. Bonds6

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 16673287) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID16673287
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)C2(c3ccccc3F)CC2)C1
InChIInChI=1S/C20H29FN2O/c1-15-12-16(2)14-23(13-15)11-5-10-22-19(24)20(8-9-20)17-6-3-4-7-18(17)21/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,22,24)
InChIKeyQPJZLXZAPXADBO-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 16673287) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is CC1CC(C)CN(CCCNC(=O)C2(c3ccccc3F)CC2)C1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is QPJZLXZAPXADBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-15-12-16(2)14-23(13-15)11-5-10-22-19(24)20(8-9-20)17-6-3-4-7-18(17)21/h3-4,6-7,15-16H,5,8-14H2,1-2H3,(H,22,24).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 332.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 16673287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).