4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide

C17H25FN2O — CID 119464064

IUPAC4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCCNC1)Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-13(8-14-4-2-6-16(18)10-14)9-17(21)20-12-15-5-3-7-19-11-15/h2,4,6,10,13,15,19H,3,5,7-9,11-12H2,1H3,(H,20,21)
InChIKeyRXPNHKXONSWQDW-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.51
Rot. Bonds6

About 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide

4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide (PubChem CID 119464064) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
PubChem CID119464064
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide
SMILESCC(CC(=O)NCC1CCCNC1)Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-13(8-14-4-2-6-16(18)10-14)9-17(21)20-12-15-5-3-7-19-11-15/h2,4,6,10,13,15,19H,3,5,7-9,11-12H2,1H3,(H,20,21)
InChIKeyRXPNHKXONSWQDW-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)butanamide
CID 119461609
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460284
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
4-(3-fluorophenyl)-3-methyl-4-oxo-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556045
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
2-(3-bromophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 75417754
2-(3-iodophenyl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119460923

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide?
The IUPAC name of 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide (CID 119464064) is 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide is CC(CC(=O)NCC1CCCNC1)Cc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide?
The InChIKey is RXPNHKXONSWQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13(8-14-4-2-6-16(18)10-14)9-17(21)20-12-15-5-3-7-19-11-15/h2,4,6,10,13,15,19H,3,5,7-9,11-12H2,1H3,(H,20,21).
What are the key properties of 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide?
4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide has a molecular weight of 292.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-methyl-N-(piperidin-3-ylmethyl)butanamide is sourced from PubChem (CID 119464064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).