5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid

C14H24N2O3 — CID 55157332

IUPAC5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-11(9-14(18)19)8-13(17)16-6-4-15(5-7-16)10-12-2-3-12/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyAKJDLULGMMIIPM-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.04
Rot. Bonds6

About 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid

5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid (PubChem CID 55157332) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
PubChem CID55157332
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-11(9-14(18)19)8-13(17)16-6-4-15(5-7-16)10-12-2-3-12/h11-12H,2-10H2,1H3,(H,18,19)
InChIKeyAKJDLULGMMIIPM-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 110708612
(3S)-3-methyl-5-(4-methylpiperazin-1-yl)-5-oxopentanoic acid
CID 7333621
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
5-[3-(aminomethyl)pyrrolidin-1-yl]-3-methyl-5-oxopentanoic acid
CID 62963898
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
4-amino-3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 81087000
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid (CID 55157332) is 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid?
The InChIKey is AKJDLULGMMIIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(9-14(18)19)8-13(17)16-6-4-15(5-7-16)10-12-2-3-12/h11-12H,2-10H2,1H3,(H,18,19).
What are the key properties of 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid?
5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 55157332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).