1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid

C19H27N3O4 — CID 119167348

IUPAC1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H27N3O4/c1-13(2)16(17(23)22-10-6-9-15(12-22)18(24)25)21-19(26)20-11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyXWEHQAJREBBHRV-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.83
Rot. Bonds6

About 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid

1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid (PubChem CID 119167348) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
PubChem CID119167348
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
SMILESCC(C)C(NC(=O)NCc1ccccc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C19H27N3O4/c1-13(2)16(17(23)22-10-6-9-15(12-22)18(24)25)21-19(26)20-11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyXWEHQAJREBBHRV-UHFFFAOYSA-N
XLogP1.83
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-3-carboxylic acid
CID 119167769
1-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea
CID 55685241
1-benzyl-3-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]urea;hydrochloride
CID 119637387
(3R)-1-[2-(carbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 81118766
(3S)-1-[3-methyl-2-(3-methylbutanoylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174275
N-benzyl-2-[4-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperazin-1-yl]acetamide
CID 55543585
1-benzyl-3-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxobutan-2-yl]urea
CID 4240009
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546
1-(2-benzylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 119167574
1-benzyl-3-[1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 55914482
1-[1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-benzylurea;hydrochloride
CID 119663275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid (CID 119167348) is 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid is CC(C)C(NC(=O)NCc1ccccc1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
The InChIKey is XWEHQAJREBBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(2)16(17(23)22-10-6-9-15(12-22)18(24)25)21-19(26)20-11-14-7-4-3-5-8-14/h3-5,7-8,13,15-16H,6,9-12H2,1-2H3,(H,24,25)(H2,20,21,26).
What are the key properties of 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid?
1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid has a molecular weight of 361.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).