N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide

C19H29FN2O — CID 119796132

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(C)(C)c1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C19H29FN2O/c1-14(15-7-9-21-10-8-15)11-18(23)22-13-19(2,3)16-5-4-6-17(20)12-16/h4-6,12,14-15,21H,7-11,13H2,1-3H3,(H,22,23)
InChIKeyDBUGZNAKWRSKHK-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.25
Rot. Bonds6

About N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (PubChem CID 119796132) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
PubChem CID119796132
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(C)(C)c1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C19H29FN2O/c1-14(15-7-9-21-10-8-15)11-18(23)22-13-19(2,3)16-5-4-6-17(20)12-16/h4-6,12,14-15,21H,7-11,13H2,1-3H3,(H,22,23)
InChIKeyDBUGZNAKWRSKHK-UHFFFAOYSA-N
XLogP3.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Milnacipran
CID 65833
Levomilnacipran
CID 6917779
Phenglutarimide
CID 102669
N-((1-(4-(4-Fluorophenyl)-4-oxobutyl)-4-phenyl-4-piperidinyl)methyl)acetamide
CID 13122
Sameridine
CID 65996
2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 11622909
(9Z,12Z,15Z)-N-(2-phenylethyl)octadeca-9,12,15-trienamide
CID 155618148
(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 3033806
N-(cyanomethyl)-4-methyl-2-(3-phenylphenyl)pentanamide
CID 9815041
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693
2-cyclohexyl-N-phenethyl-acetamide
CID 1121089

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide (CID 119796132) is N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(C)(C)c1cccc(F)c1)C1CCNCC1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
The InChIKey is DBUGZNAKWRSKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-14(15-7-9-21-10-8-15)11-18(23)22-13-19(2,3)16-5-4-6-17(20)12-16/h4-6,12,14-15,21H,7-11,13H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide has a molecular weight of 320.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119796132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).