(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride

C17H26ClN3O2 — CID 119701212

IUPAC(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(2)16(21)20-14-8-6-13(7-9-14)11-19-17(22)15-5-3-4-10-18-15;/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,21);1H/t15-;/m0./s1
InChIKeyZJBLWIIXDRZVBL-RSAXXLAASA-N
MW339.87 g/mol
LogP2.46
Rot. Bonds5

About (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119701212) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119701212
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12(2)16(21)20-14-8-6-13(7-9-14)11-19-17(22)15-5-3-4-10-18-15;/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,21);1H/t15-;/m0./s1
InChIKeyZJBLWIIXDRZVBL-RSAXXLAASA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119308499
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
4-hydroxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119701214
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 91645523
N-[4-(acetamidomethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119321333
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63005207
N-[(4-ethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82128917

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119701212) is (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is CC(C)C(=O)Nc1ccc(CNC(=O)[C@@H]2CCCCN2)cc1.Cl.
What is the InChIKey of (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is ZJBLWIIXDRZVBL-RSAXXLAASA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12(2)16(21)20-14-8-6-13(7-9-14)11-19-17(22)15-5-3-4-10-18-15;/h6-9,12,15,18H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,21);1H/t15-;/m0./s1.
What are the key properties of (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119701212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).