4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde

C13H23N3O2 — CID 108993560

IUPAC4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CNC2CCCCC2)CC1
InChIInChI=1S/C13H23N3O2/c17-11-15-6-8-16(9-7-15)13(18)10-14-12-4-2-1-3-5-12/h11-12,14H,1-10H2
InChIKeyVCWWMTSWHBNGSP-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.21
Rot. Bonds4

About 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde

4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde (PubChem CID 108993560) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
PubChem CID108993560
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)CNC2CCCCC2)CC1
InChIInChI=1S/C13H23N3O2/c17-11-15-6-8-16(9-7-15)13(18)10-14-12-4-2-1-3-5-12/h11-12,14H,1-10H2
InChIKeyVCWWMTSWHBNGSP-UHFFFAOYSA-N
XLogP0.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
2-(cyclohexylamino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108993559
2-[4-[2-(cyclopentylamino)acetyl]piperazin-1-yl]acetic acid
CID 61161596
4-(2-cyclopentylacetyl)piperazine-1-carbaldehyde
CID 110850251
1-(azepan-1-yl)-2-[(1,1-dioxothian-4-yl)amino]ethanone
CID 43615246
2-(cyclopentylamino)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 22321698
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
2-(cyclopentylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163229
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
2-[4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-1-yl]acetamide
CID 60963214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde (CID 108993560) is 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)CNC2CCCCC2)CC1.
What is the InChIKey of 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde?
The InChIKey is VCWWMTSWHBNGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-11-15-6-8-16(9-7-15)13(18)10-14-12-4-2-1-3-5-12/h11-12,14H,1-10H2.
What are the key properties of 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde?
4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde has a molecular weight of 253.35 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)acetyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 108993560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).