1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

C26H34N4O3 — CID 3816360

IUPAC1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C(C)NC(=O)C2CCN(C(=O)C(N)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H34N4O3/c1-18-8-10-21(11-9-18)17-28-24(31)19(2)29-25(32)22-12-14-30(15-13-22)26(33)23(27)16-20-6-4-3-5-7-20/h3-11,19,22-23H,12-17,27H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyGLJYUVVJKKCOGG-UHFFFAOYSA-N
MW450.58 g/mol
LogP1.92
Rot. Bonds8

About 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide

1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (PubChem CID 3816360) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
PubChem CID3816360
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C(C)NC(=O)C2CCN(C(=O)C(N)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H34N4O3/c1-18-8-10-21(11-9-18)17-28-24(31)19(2)29-25(32)22-12-14-30(15-13-22)26(33)23(27)16-20-6-4-3-5-7-20/h3-11,19,22-23H,12-17,27H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyGLJYUVVJKKCOGG-UHFFFAOYSA-N
XLogP1.92
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 52994066
(2S)-2-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52993906
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389629
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
1-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-3-methyl-1-oxo-1-[[(1R)-1-phenylethyl]amino]butan-2-yl]piperidine-4-carboxamide
CID 40872505
1-[(2S)-2-aminopropanoyl]-N-[(2R)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
CID 92507931
1-(2-amino-4-methylpentanoyl)-N-[1-(4-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 4837129
1-[(2S)-2-amino-3-phenylpropanoyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119287834
(2S)-2-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119292093
(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 7093458
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119278106

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide (CID 3816360) is 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C(C)NC(=O)C2CCN(C(=O)C(N)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
The InChIKey is GLJYUVVJKKCOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-18-8-10-21(11-9-18)17-28-24(31)19(2)29-25(32)22-12-14-30(15-13-22)26(33)23(27)16-20-6-4-3-5-7-20/h3-11,19,22-23H,12-17,27H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide?
1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-phenylpropanoyl)-N-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 3816360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).