4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide

C18H28N4O2 — CID 119700255

IUPAC4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCCC(C)C(N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-3-13(2)16(19)17(23)20-15-9-11-22(12-10-15)18(24)21-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZFKCDSISDWSFGE-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.17
Rot. Bonds5

About 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide

4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 119700255) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID119700255
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESCCC(C)C(N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H28N4O2/c1-3-13(2)16(19)17(23)20-15-9-11-22(12-10-15)18(24)21-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,19H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyZFKCDSISDWSFGE-UHFFFAOYSA-N
XLogP2.17
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119276932
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-N-phenylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 154884603
N-phenyl-4-(propylamino)piperidine-1-carboxamide
CID 54923338
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
4-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700441
2-amino-N-(1-ethylpiperidin-4-yl)-3-methylpentanamide
CID 54917233
4-[(2-acetamido-3-phenylpropanoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 6487275
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
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
N-phenyl-4-(3-phenylprop-2-ynoylamino)piperidine-1-carboxamide
CID 71982071
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide (CID 119700255) is 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide is CCC(C)C(N)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is ZFKCDSISDWSFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-13(2)16(19)17(23)20-15-9-11-22(12-10-15)18(24)21-14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,19H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3-methylpentanoyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 119700255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).