4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde

C14H23N3O3 — CID 113003741

IUPAC4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde
SMILESCCC(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H23N3O3/c1-2-13(19)16-5-3-12(4-6-16)14(20)17-9-7-15(11-18)8-10-17/h11-12H,2-10H2,1H3
InChIKeyCSWYJNNFIITCFS-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.06
Rot. Bonds3

About 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde

4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde (PubChem CID 113003741) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde
PubChem CID113003741
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde
SMILESCCC(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1
InChIInChI=1S/C14H23N3O3/c1-2-13(19)16-5-3-12(4-6-16)14(20)17-9-7-15(11-18)8-10-17/h11-12H,2-10H2,1H3
InChIKeyCSWYJNNFIITCFS-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'}

Analyze 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
1-[4-[4-(ethoxymethyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 131909918
1-[4-[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796472
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]butane-1,3-dione
CID 54876750
1-[4-[1-(3-hydroxypropyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 169228908
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
4-[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]piperazine-1-carbaldehyde
CID 108942693
4-(1,1-dioxothiane-4-carbonyl)piperazine-1-carbaldehyde
CID 110850182
4-[1-[2-(3-fluorophenyl)acetyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003789

Frequently Asked Questions

What is the IUPAC name of 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde (CID 113003741) is 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde is CCC(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1.
What is the InChIKey of 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is CSWYJNNFIITCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-13(19)16-5-3-12(4-6-16)14(20)17-9-7-15(11-18)8-10-17/h11-12H,2-10H2,1H3.
What are the key properties of 4-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde?
4-(1-propanoylpiperidine-4-carbonyl)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-(1-propanoylpiperidine-4-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 113003741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).