1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

C17H31N3O — CID 55766889

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C17H31N3O/c1-15-6-5-12-20(14-15)13-11-19-17(21)18-10-9-16-7-3-2-4-8-16/h7,15H,2-6,8-14H2,1H3,(H2,18,19,21)
InChIKeyZQPPFFKDOLCIAP-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.91
Rot. Bonds6

About 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea

1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (PubChem CID 55766889) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
PubChem CID55766889
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
SMILESCC1CCCN(CCNC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C17H31N3O/c1-15-6-5-12-20(14-15)13-11-19-17(21)18-10-9-16-7-3-2-4-8-16/h7,15H,2-6,8-14H2,1H3,(H2,18,19,21)
InChIKeyZQPPFFKDOLCIAP-UHFFFAOYSA-N
XLogP2.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903400
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 51970015
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 18084867
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857
3-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109014873
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17398689
N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]prop-2-enamide
CID 125422227
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 109014698
2-methoxy-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]acetamide
CID 94116180
N-[2-(cyclohexen-1-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110894046

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea (CID 55766889) is 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is CC1CCCN(CCNC(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
The InChIKey is ZQPPFFKDOLCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-15-6-5-12-20(14-15)13-11-19-17(21)18-10-9-16-7-3-2-4-8-16/h7,15H,2-6,8-14H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea?
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea has a molecular weight of 293.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 55766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).