1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride

C15H21ClFN3O2 — CID 119314077

IUPAC1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-10(17)15(21)19-7-5-11(6-8-19)14(20)18-13-4-2-3-12(16)9-13;/h2-4,9-11H,5-8,17H2,1H3,(H,18,20);1H/t10-;/m1./s1
InChIKeyDXIGNQKCIUHIDR-HNCPQSOCSA-N
MW329.80 g/mol
LogP1.77
Rot. Bonds3

About 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride

1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119314077) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119314077
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC Name1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@@H](N)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-10(17)15(21)19-7-5-11(6-8-19)14(20)18-13-4-2-3-12(16)9-13;/h2-4,9-11H,5-8,17H2,1H3,(H,18,20);1H/t10-;/m1./s1
InChIKeyDXIGNQKCIUHIDR-HNCPQSOCSA-N
XLogP1.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-(2-amino-2-methylpropyl)-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120848161
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 56753158
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
1-(3-amino-2-methylbutanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 120500954
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
N-(3,4-difluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31786532

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride (CID 119314077) is 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride is C[C@@H](N)C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.Cl.
What is the InChIKey of 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is DXIGNQKCIUHIDR-HNCPQSOCSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-10(17)15(21)19-7-5-11(6-8-19)14(20)18-13-4-2-3-12(16)9-13;/h2-4,9-11H,5-8,17H2,1H3,(H,18,20);1H/t10-;/m1./s1.
What are the key properties of 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride?
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).