4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde

C14H23N3O3 — CID 108942693

IUPAC4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
SMILESCC1CCN(C(=O)CC(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H23N3O3/c1-12-2-4-16(5-3-12)13(19)10-14(20)17-8-6-15(11-18)7-9-17/h11-12H,2-10H2,1H3
InChIKeyRDFWZNHBFQDGRK-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.06
Rot. Bonds3

About 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde

4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde (PubChem CID 108942693) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
PubChem CID108942693
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
SMILESCC1CCN(C(=O)CC(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H23N3O3/c1-12-2-4-16(5-3-12)13(19)10-14(20)17-8-6-15(11-18)7-9-17/h11-12H,2-10H2,1H3
InChIKeyRDFWZNHBFQDGRK-UHFFFAOYSA-N
XLogP-0.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
4-[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108944496
1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942692
4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde
CID 113003741
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
4-[2-[cyclopropyl(methylamino)amino]acetyl]piperazine-1-carbaldehyde
CID 142393179
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
(Z)-3-(4-formylpiperazin-1-yl)-2-(4-methylpiperidine-1-carbonyl)prop-2-enenitrile
CID 108831943

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde (CID 108942693) is 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde is CC1CCN(C(=O)CC(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
The InChIKey is RDFWZNHBFQDGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12-2-4-16(5-3-12)13(19)10-14(20)17-8-6-15(11-18)7-9-17/h11-12H,2-10H2,1H3.
What are the key properties of 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde?
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde has a molecular weight of 281.36 g/mol, XLogP of -0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108942693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).