N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide

C16H27N3O2 — CID 109014633

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide
SMILESO=CN1CCN(CCC(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H27N3O2/c20-14-19-12-10-18(11-13-19)9-7-16(21)17-8-6-15-4-2-1-3-5-15/h4,14H,1-3,5-13H2,(H,17,21)
InChIKeyAHVLJWDHOPXCKT-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.16
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide (PubChem CID 109014633) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide
PubChem CID109014633
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide
SMILESO=CN1CCN(CCC(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C16H27N3O2/c20-14-19-12-10-18(11-13-19)9-7-16(21)17-8-6-15-4-2-1-3-5-15/h4,14H,1-3,5-13H2,(H,17,21)
InChIKeyAHVLJWDHOPXCKT-UHFFFAOYSA-N
XLogP1.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109014679
4-[3-[2-(cyclohexen-1-yl)ethylamino]propanoyl]piperazine-1-carbaldehyde
CID 109014811
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687823
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 2682905
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104787
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide (CID 109014633) is N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide is O=CN1CCN(CCC(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide?
The InChIKey is AHVLJWDHOPXCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-14-19-12-10-18(11-13-19)9-7-16(21)17-8-6-15-4-2-1-3-5-15/h4,14H,1-3,5-13H2,(H,17,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide is sourced from PubChem (CID 109014633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).