1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide

C24H29FN2O — CID 30806810

IUPAC1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC1CCN(Cc2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C24H29FN2O/c1-18-10-14-27(15-11-18)17-20-4-2-19(3-5-20)16-26-23(28)24(12-13-24)21-6-8-22(25)9-7-21/h2-9,18H,10-17H2,1H3,(H,26,28)
InChIKeySFDHKVMNHUKZCS-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.41
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 30806810) has the molecular formula C24H29FN2O and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID30806810
Molecular FormulaC24H29FN2O
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC1CCN(Cc2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C24H29FN2O/c1-18-10-14-27(15-11-18)17-20-4-2-19(3-5-20)16-26-23(28)24(12-13-24)21-6-8-22(25)9-7-21/h2-9,18H,10-17H2,1H3,(H,26,28)
InChIKeySFDHKVMNHUKZCS-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 38401061
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
N-benzyl-4-(4-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 24799848
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55650881
1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 110438220
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide (CID 30806810) is 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide is CC1CCN(Cc2ccc(CNC(=O)C3(c4ccc(F)cc4)CC3)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is SFDHKVMNHUKZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O/c1-18-10-14-27(15-11-18)17-20-4-2-19(3-5-20)16-26-23(28)24(12-13-24)21-6-8-22(25)9-7-21/h2-9,18H,10-17H2,1H3,(H,26,28).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 30806810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).