4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid

C15H27N3O3 — CID 22467106

IUPAC4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
SMILESCN1CCN(C(=O)C(CC(=O)O)CN2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-16-7-9-18(10-8-16)15(21)13(11-14(19)20)12-17-5-3-2-4-6-17/h13H,2-12H2,1H3,(H,19,20)
InChIKeyKPBNNZIDHFBBTI-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.34
Rot. Bonds5

About 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid

4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid (PubChem CID 22467106) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
PubChem CID22467106
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
SMILESCN1CCN(C(=O)C(CC(=O)O)CN2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-16-7-9-18(10-8-16)15(21)13(11-14(19)20)12-17-5-3-2-4-6-17/h13H,2-12H2,1H3,(H,19,20)
InChIKeyKPBNNZIDHFBBTI-UHFFFAOYSA-N
XLogP0.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid with MolForge

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Related Compounds

3-(1-carboxyethylsulfanylmethyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
CID 22467082
4-oxo-3-(piperidin-1-ylmethyl)-4-(1H-pyrrol-3-yl)butanoic acid
CID 22467038
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
3-(azepan-1-ylmethyl)pentanoic acid
CID 81071515
4-oxo-3-(piperidin-1-ylmethyl)-4-pyridin-4-ylbutanoic acid
CID 22467013
4-(4-chlorophenyl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 13082308
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 3066008
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 23540154
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 23540153
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
4,4-dimethyl-2-(piperidin-1-ylmethyl)pentanoic acid
CID 107474872
3-(azepan-1-yl)-2-(1-methylpiperidin-4-yl)propanoic acid
CID 117239593

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid (CID 22467106) is 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid is CN1CCN(C(=O)C(CC(=O)O)CN2CCCCC2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid?
The InChIKey is KPBNNZIDHFBBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16-7-9-18(10-8-16)15(21)13(11-14(19)20)12-17-5-3-2-4-6-17/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid?
4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid is sourced from PubChem (CID 22467106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).