1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide

C20H29FN2O — CID 110630190

IUPAC1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)C2(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H29FN2O/c1-15(2)14-23-11-7-16(8-12-23)13-22-19(24)20(9-10-20)17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)
InChIKeyYMOJTXCIRPJKDX-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.34
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 110630190) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
PubChem CID110630190
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCC(C)CN1CCC(CNC(=O)C2(c3ccccc3F)CC2)CC1
InChIInChI=1S/C20H29FN2O/c1-15(2)14-23-11-7-16(8-12-23)13-22-19(24)20(9-10-20)17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3,(H,22,24)
InChIKeyYMOJTXCIRPJKDX-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide (CID 110630190) is 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide is CC(C)CN1CCC(CNC(=O)C2(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is YMOJTXCIRPJKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-15(2)14-23-11-7-16(8-12-23)13-22-19(24)20(9-10-20)17-5-3-4-6-18(17)21/h3-6,15-16H,7-14H2,1-2H3,(H,22,24).
What are the key properties of 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]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 1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110630190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).