3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide

C20H31FN4O2 — CID 119598315

IUPAC3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C20H31FN4O2/c1-14(2)11-20(3,13-22)24-18(26)15-7-6-10-25(12-15)19(27)23-17-9-5-4-8-16(17)21/h4-5,8-9,14-15H,6-7,10-13,22H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGIBAAQLWKPVPMM-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.95
Rot. Bonds6

About 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide

3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 119598315) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID119598315
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Name3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C20H31FN4O2/c1-14(2)11-20(3,13-22)24-18(26)15-7-6-10-25(12-15)19(27)23-17-9-5-4-8-16(17)21/h4-5,8-9,14-15H,6-7,10-13,22H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyGIBAAQLWKPVPMM-UHFFFAOYSA-N
XLogP2.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-cyclopentylpiperidine-1,3-dicarboxamide
CID 119597716
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119614252
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 119435464
N-(1-amino-2,4-dimethylpentan-2-yl)cycloheptanecarboxamide;hydrochloride
CID 119599741

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide (CID 119598315) is 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide is CC(C)CC(C)(CN)NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is GIBAAQLWKPVPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2/c1-14(2)11-20(3,13-22)24-18(26)15-7-6-10-25(12-15)19(27)23-17-9-5-4-8-16(17)21/h4-5,8-9,14-15H,6-7,10-13,22H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide?
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 378.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 119598315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).