N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide

C21H35N3O5S — CID 22552840

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C21H35N3O5S/c25-20(22-11-8-18-5-2-1-3-6-18)19-7-4-12-24(17-19)30(26,27)23-13-9-21(10-14-23)28-15-16-29-21/h5,19H,1-4,6-17H2,(H,22,25)
InChIKeyXMTAHQDIVMOMIE-UHFFFAOYSA-N
MW441.59 g/mol
LogP1.79
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide (PubChem CID 22552840) has the molecular formula C21H35N3O5S and a molecular weight of 441.59 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
PubChem CID22552840
Molecular FormulaC21H35N3O5S
Molecular Weight441.59 g/mol
Exact Mass441.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C21H35N3O5S/c25-20(22-11-8-18-5-2-1-3-6-18)19-7-4-12-24(17-19)30(26,27)23-13-9-21(10-14-23)28-15-16-29-21/h5,19H,1-4,6-17H2,(H,22,25)
InChIKeyXMTAHQDIVMOMIE-UHFFFAOYSA-N
XLogP1.79
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.59
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide (CID 22552840) is N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide?
The InChIKey is XMTAHQDIVMOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O5S/c25-20(22-11-8-18-5-2-1-3-6-18)19-7-4-12-24(17-19)30(26,27)23-13-9-21(10-14-23)28-15-16-29-21/h5,19H,1-4,6-17H2,(H,22,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide has a molecular weight of 441.59 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 22552840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).