3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride

C18H26ClFN4O2 — CID 119614252

IUPAC3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1)C1CC1
InChIInChI=1S/C18H25FN4O2.ClH/c19-14-5-1-2-6-15(14)22-18(25)23-9-3-4-13(11-23)17(24)21-16(10-20)12-7-8-12;/h1-2,5-6,12-13,16H,3-4,7-11,20H2,(H,21,24)(H,22,25);1H
InChIKeyWMBCRQFZDQQQHN-UHFFFAOYSA-N
MW384.88 g/mol
LogP2.34
Rot. Bonds5

About 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride

3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 119614252) has the molecular formula C18H26ClFN4O2 and a molecular weight of 384.88 g/mol. Its IUPAC name is 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
PubChem CID119614252
Molecular FormulaC18H26ClFN4O2
Molecular Weight384.88 g/mol
Exact Mass384.17
IUPAC Name3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
SMILESCl.NCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1)C1CC1
InChIInChI=1S/C18H25FN4O2.ClH/c19-14-5-1-2-6-15(14)22-18(25)23-9-3-4-13(11-23)17(24)21-16(10-20)12-7-8-12;/h1-2,5-6,12-13,16H,3-4,7-11,20H2,(H,21,24)(H,22,25);1H
InChIKeyWMBCRQFZDQQQHN-UHFFFAOYSA-N
XLogP2.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
3-N-(1-amino-2,4-dimethylpentan-2-yl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119598315
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
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-amino-1-cyclohexylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119591920
N-(2-fluorophenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 146127859
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 119435464
3-N-(2-fluorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56921211

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The IUPAC name of 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride (CID 119614252) is 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride.
What is the SMILES notation for 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The canonical SMILES for 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride is Cl.NCC(NC(=O)C1CCCN(C(=O)Nc2ccccc2F)C1)C1CC1.
What is the InChIKey of 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
The InChIKey is WMBCRQFZDQQQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2.ClH/c19-14-5-1-2-6-15(14)22-18(25)23-9-3-4-13(11-23)17(24)21-16(10-20)12-7-8-12;/h1-2,5-6,12-13,16H,3-4,7-11,20H2,(H,21,24)(H,22,25);1H.
What are the key properties of 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride?
3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 384.88 g/mol, XLogP of 2.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-amino-1-cyclopropylethyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 119614252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).