N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide

C17H29N3O2 — CID 8903400

IUPACN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)NC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C17H29N3O2/c1-14-6-5-11-20(12-14)13-16(21)19-17(22)18-10-9-15-7-3-2-4-8-15/h7,14H,2-6,8-13H2,1H3,(H2,18,19,21,22)/t14-/m1/s1
InChIKeyNGVSTPCLPVYSGE-CQSZACIVSA-N
MW307.44 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide

N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (PubChem CID 8903400) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
PubChem CID8903400
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCN(CC(=O)NC(=O)NCCC2=CCCCC2)C1
InChIInChI=1S/C17H29N3O2/c1-14-6-5-11-20(12-14)13-16(21)19-17(22)18-10-9-15-7-3-2-4-8-15/h7,14H,2-6,8-13H2,1H3,(H2,18,19,21,22)/t14-/m1/s1
InChIKeyNGVSTPCLPVYSGE-CQSZACIVSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 55766889
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17398689
2-[(3R)-3-methylpiperidin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8903288
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-formylpiperidin-1-yl)acetamide
CID 62655682
N-(2-methoxyethylcarbamoyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170639
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 55627456
2-(3-methylpiperidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 51170634
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267549
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704050

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide (CID 8903400) is N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCN(CC(=O)NC(=O)NCCC2=CCCCC2)C1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
The InChIKey is NGVSTPCLPVYSGE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-14-6-5-11-20(12-14)13-16(21)19-17(22)18-10-9-15-7-3-2-4-8-15/h7,14H,2-6,8-13H2,1H3,(H2,18,19,21,22)/t14-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 8903400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).