1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid

C19H26N2O4 — CID 119167769

IUPAC1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H26N2O4/c1-13(2)17(20-16(22)11-14-7-4-3-5-8-14)18(23)21-10-6-9-15(12-21)19(24)25/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyZMPCLZZBMOWPIF-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.69
Rot. Bonds6

About 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid

1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid (PubChem CID 119167769) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
PubChem CID119167769
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H26N2O4/c1-13(2)17(20-16(22)11-14-7-4-3-5-8-14)18(23)21-10-6-9-15(12-21)19(24)25/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyZMPCLZZBMOWPIF-UHFFFAOYSA-N
XLogP1.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119167348
(3S)-1-[3-methyl-2-(3-methylbutanoylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174275
N-[1-[(3R)-3-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 119409765
N-[3-methyl-1-oxo-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]butan-2-yl]-2-phenylacetamide
CID 55556885
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide;hydrochloride
CID 119373353
(3S)-N-(cyclopropylmethyl)-1-[(2R)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]piperidine-3-carboxamide
CID 97011311
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
N-[1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 51327509
1-(2-benzylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 119167574

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid (CID 119167769) is 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid is CC(C)C(NC(=O)Cc1ccccc1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid?
The InChIKey is ZMPCLZZBMOWPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(2)17(20-16(22)11-14-7-4-3-5-8-14)18(23)21-10-6-9-15(12-21)19(24)25/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid?
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).