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

C18H25FN2O2 — CID 120889999

IUPAC2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCOCC1(CNC(=O)C2CC2c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C18H25FN2O2/c1-23-12-18(6-8-20-9-7-18)11-21-17(22)16-10-15(16)13-2-4-14(19)5-3-13/h2-5,15-16,20H,6-12H2,1H3,(H,21,22)
InChIKeyUKVKDLHJUYUJRS-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.06
Rot. Bonds6

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

2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 120889999) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
PubChem CID120889999
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCOCC1(CNC(=O)C2CC2c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C18H25FN2O2/c1-23-12-18(6-8-20-9-7-18)11-21-17(22)16-10-15(16)13-2-4-14(19)5-3-13/h2-5,15-16,20H,6-12H2,1H3,(H,21,22)
InChIKeyUKVKDLHJUYUJRS-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 120891654
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxobutanamide;hydrochloride
CID 120890290
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
methyl 3-[[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoate
CID 97010209
1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120887115
2-bromo-4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120891841
2-(4-fluorophenyl)-N-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxamide
CID 134009740
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide (CID 120889999) is 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide is COCC1(CNC(=O)C2CC2c2ccc(F)cc2)CCNCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is UKVKDLHJUYUJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-12-18(6-8-20-9-7-18)11-21-17(22)16-10-15(16)13-2-4-14(19)5-3-13/h2-5,15-16,20H,6-12H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 120889999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).