2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid

C15H28N2O3 — CID 115867286

IUPAC2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
SMILESCC(CCCNC(=O)CC(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(15(19)20)5-3-8-17-14(18)9-12(2)13-6-4-7-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPBFCRFYNMAYPEE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.63
Rot. Bonds8

About 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid

2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid (PubChem CID 115867286) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
PubChem CID115867286
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
SMILESCC(CCCNC(=O)CC(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-11(15(19)20)5-3-8-17-14(18)9-12(2)13-6-4-7-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPBFCRFYNMAYPEE-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-(3-cyclohexylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119724260
N-[4-(cyclopropylamino)-4-oxobutyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119728333
N-[3-(diethylamino)propyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119828131
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852765
3-piperidin-3-yl-N-(3-piperidin-1-ylpropyl)butanamide;dihydrochloride
CID 119835530
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-ylbutanamide
CID 81044804
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid (CID 115867286) is 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid is CC(CCCNC(=O)CC(C)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid?
The InChIKey is PBFCRFYNMAYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(15(19)20)5-3-8-17-14(18)9-12(2)13-6-4-7-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid?
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid is sourced from PubChem (CID 115867286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).