(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119703628

IUPAC(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(2)11-16(21)19-13-6-8-14(9-7-13)20-17(22)15-5-3-4-10-18-15;/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,21)(H,20,22);1H/t15-;/m0./s1
InChIKeyAUHNXSSCYHUDCN-RSAXXLAASA-N
MW339.87 g/mol
LogP3.17
Rot. Bonds5

About (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119703628) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119703628
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(2)11-16(21)19-13-6-8-14(9-7-13)20-17(22)15-5-3-4-10-18-15;/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,21)(H,20,22);1H/t15-;/m0./s1
InChIKeyAUHNXSSCYHUDCN-RSAXXLAASA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide
CID 119703600
N-[4-(3-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 60727380
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-[4-(propan-2-ylcarbamoylamino)phenyl]piperidine-2-carboxamide
CID 119279232
(2R)-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119740054
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2S)-N-[4-[ethyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide
CID 103813229
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119703628) is (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride is CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is AUHNXSSCYHUDCN-RSAXXLAASA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(2)11-16(21)19-13-6-8-14(9-7-13)20-17(22)15-5-3-4-10-18-15;/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,21)(H,20,22);1H/t15-;/m0./s1.
What are the key properties of (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(3-methylbutanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119703628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).