4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride

C17H27ClN4O2 — CID 119276932

IUPAC4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)15(18)16(22)19-14-8-10-21(11-9-14)17(23)20-13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,18H2,1-2H3,(H,19,22)(H,20,23);1H/t15-;/m0./s1
InChIKeyLPMROOOUIJGMJF-RSAXXLAASA-N
MW354.88 g/mol
LogP2.20
Rot. Bonds4

About 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 119276932) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID119276932
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCC(C)[C@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-12(2)15(18)16(22)19-14-8-10-21(11-9-14)17(23)20-13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,18H2,1-2H3,(H,19,22)(H,20,23);1H/t15-;/m0./s1
InChIKeyLPMROOOUIJGMJF-RSAXXLAASA-N
XLogP2.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 119700255
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154884603
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-N-phenylpiperidine-1-carboxamide
CID 56717075
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 42902325
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
CID 119700260
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride (CID 119276932) is 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride is CC(C)[C@H](N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.Cl.
What is the InChIKey of 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is LPMROOOUIJGMJF-RSAXXLAASA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-12(2)15(18)16(22)19-14-8-10-21(11-9-14)17(23)20-13-6-4-3-5-7-13;/h3-7,12,14-15H,8-11,18H2,1-2H3,(H,19,22)(H,20,23);1H/t15-;/m0./s1.
What are the key properties of 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride?
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119276932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).