6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid

C15H28N2O3 — CID 60953422

IUPAC6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
SMILESCC(C)N1CCC(N(C)C(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17-10-8-13(9-11-17)16(3)14(18)6-4-5-7-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyOKOPCAKDMVFBNW-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.96
Rot. Bonds7

About 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid

6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid (PubChem CID 60953422) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
PubChem CID60953422
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
SMILESCC(C)N1CCC(N(C)C(=O)CCCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)17-10-8-13(9-11-17)16(3)14(18)6-4-5-7-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyOKOPCAKDMVFBNW-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)hexanamide
CID 54870299
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
3-(cyclopropylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 54870177
N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride
CID 119842334
3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
2-(cyclopropylmethylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 54870366
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
benzyl N-[4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutyl]carbamate
CID 51121113
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
4-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]butanoic acid
CID 65058588

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid (CID 60953422) is 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid is CC(C)N1CCC(N(C)C(=O)CCCCC(=O)O)CC1.
What is the InChIKey of 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid?
The InChIKey is OKOPCAKDMVFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)17-10-8-13(9-11-17)16(3)14(18)6-4-5-7-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid?
6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 60953422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).