4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid

C16H28N2O3 — CID 115867435

IUPAC4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC(C)C2CCCNC2)C(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-11-5-7-18(14(8-11)16(20)21)15(19)9-12(2)13-4-3-6-17-10-13/h11-14,17H,3-10H2,1-2H3,(H,20,21)
InChIKeyGNVDVXSHRPNOKK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.72
Rot. Bonds4

About 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid

4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid (PubChem CID 115867435) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
PubChem CID115867435
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC(C)C2CCCNC2)C(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-11-5-7-18(14(8-11)16(20)21)15(19)9-12(2)13-4-3-6-17-10-13/h11-14,17H,3-10H2,1-2H3,(H,20,21)
InChIKeyGNVDVXSHRPNOKK-UHFFFAOYSA-N
XLogP1.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
N,N-dimethyl-1-(3-piperidin-3-ylbutanoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119697659
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
1-(2,6-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119792024
1-[2-(hydroxymethyl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81043659
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044719
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119671933
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 81047244
3-phenyl-4-(3-piperidin-3-ylbutanoyl)piperazin-2-one
CID 119760181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid (CID 115867435) is 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid is CC1CCN(C(=O)CC(C)C2CCCNC2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid?
The InChIKey is GNVDVXSHRPNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-5-7-18(14(8-11)16(20)21)15(19)9-12(2)13-4-3-6-17-10-13/h11-14,17H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid?
4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-piperidin-3-ylbutanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 115867435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).