1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride

C21H32ClFN4O2 — CID 119824032

IUPAC1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1)C1CCNCC1.Cl
InChIInChI=1S/C21H31FN4O2.ClH/c1-2-13-26(17-9-11-23-12-10-17)20(27)16-6-5-14-25(15-16)21(28)24-19-8-4-3-7-18(19)22;/h3-4,7-8,16-17,23H,2,5-6,9-15H2,1H3,(H,24,28);1H
InChIKeyFLMUZHANMGJXRK-UHFFFAOYSA-N
MW426.96 g/mol
LogP3.48
Rot. Bonds5

About 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride

1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119824032) has the molecular formula C21H32ClFN4O2 and a molecular weight of 426.96 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119824032
Molecular FormulaC21H32ClFN4O2
Molecular Weight426.96 g/mol
Exact Mass426.22
IUPAC Name1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride
SMILESCCCN(C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1)C1CCNCC1.Cl
InChIInChI=1S/C21H31FN4O2.ClH/c1-2-13-26(17-9-11-23-12-10-17)20(27)16-6-5-14-25(15-16)21(28)24-19-8-4-3-7-18(19)22;/h3-4,7-8,16-17,23H,2,5-6,9-15H2,1H3,(H,24,28);1H
InChIKeyFLMUZHANMGJXRK-UHFFFAOYSA-N
XLogP3.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.96
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride 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

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(3-methylpiperazine-1-carbonyl)piperidine-1-carboxamide;hydrochloride
CID 119577627
1-(3,5-dimethylbenzoyl)-N-piperidin-4-yl-N-propylpiperidine-3-carboxamide
CID 119823569
N-propyl-1-(pyrrolidine-1-carbonyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532621
1-(4-methylbenzoyl)-N-propyl-N-pyrrolidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119532515
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
1-N-(2-methylpropyl)-3-N-propyl-3-N-pyrrolidin-3-ylpiperidine-1,3-dicarboxamide
CID 119531454
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride (CID 119824032) is 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride is CCCN(C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1)C1CCNCC1.Cl.
What is the InChIKey of 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is FLMUZHANMGJXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2.ClH/c1-2-13-26(17-9-11-23-12-10-17)20(27)16-6-5-14-25(15-16)21(28)24-19-8-4-3-7-18(19)22;/h3-4,7-8,16-17,23H,2,5-6,9-15H2,1H3,(H,24,28);1H.
What are the key properties of 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride?
1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 426.96 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-3-N-piperidin-4-yl-3-N-propylpiperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119824032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).