N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

C19H28FN3O — CID 46366148

IUPACN-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C19H28FN3O/c1-15-5-9-22(10-6-15)14-16-7-11-23(12-8-16)19(24)21-18-4-2-3-17(20)13-18/h2-4,13,15-16H,5-12,14H2,1H3,(H,21,24)
InChIKeyIHIALTYXSIUZRQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.80
Rot. Bonds3

About N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide

N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 46366148) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID46366148
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC NameN-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1
InChIInChI=1S/C19H28FN3O/c1-15-5-9-22(10-6-15)14-16-7-11-23(12-8-16)19(24)21-18-4-2-3-17(20)13-18/h2-4,13,15-16H,5-12,14H2,1H3,(H,21,24)
InChIKeyIHIALTYXSIUZRQ-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(2-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366138
4-[(1S)-1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221460
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
N-(3-fluorophenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8558075
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
CID 92731331
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide (CID 46366148) is N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is CC1CCN(CC2CCN(C(=O)Nc3cccc(F)c3)CC2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is IHIALTYXSIUZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-15-5-9-22(10-6-15)14-16-7-11-23(12-8-16)19(24)21-18-4-2-3-17(20)13-18/h2-4,13,15-16H,5-12,14H2,1H3,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 46366148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).