2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 62310100

IUPAC2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC1CC(C)CN(C(=O)N2CCN(C(C)C(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-11-8-12(2)10-18(9-11)15(21)17-6-4-16(5-7-17)13(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyLTCWYTHEACXVNE-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.17
Rot. Bonds2

About 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid

2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62310100) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62310100
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC1CC(C)CN(C(=O)N2CCN(C(C)C(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-11-8-12(2)10-18(9-11)15(21)17-6-4-16(5-7-17)13(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyLTCWYTHEACXVNE-UHFFFAOYSA-N
XLogP1.17
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
2-[4-[4-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 62310904
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
(2R)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoic acid
CID 28705148
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanoic acid
CID 83147517
1-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907170
2-[4-[(3-methylcyclopentyl)methylcarbamoyl]piperazin-1-yl]propanoic acid
CID 107414464

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid (CID 62310100) is 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid is CC1CC(C)CN(C(=O)N2CCN(C(C)C(=O)O)CC2)C1.
What is the InChIKey of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is LTCWYTHEACXVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-8-12(2)10-18(9-11)15(21)17-6-4-16(5-7-17)13(3)14(19)20/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62310100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).