N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide

C22H30N2O2 — CID 109044848

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCN(C(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1
InChIInChI=1S/C22H30N2O2/c1-17-12-15-24(16-13-17)22(26)20-9-7-19(8-10-20)21(25)23-14-11-18-5-3-2-4-6-18/h5,7-10,17H,2-4,6,11-16H2,1H3,(H,23,25)
InChIKeyYGHOLONTCWAOCX-UHFFFAOYSA-N
MW354.49 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109044848) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
PubChem CID109044848
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide
SMILESCC1CCN(C(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1
InChIInChI=1S/C22H30N2O2/c1-17-12-15-24(16-13-17)22(26)20-9-7-19(8-10-20)21(25)23-14-11-18-5-3-2-4-6-18/h5,7-10,17H,2-4,6,11-16H2,1H3,(H,23,25)
InChIKeyYGHOLONTCWAOCX-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
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)ethyl]-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109045001
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146208
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54815369
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54834873
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-4-[(3R)-3-methoxypyrrolidin-1-yl]benzamide
CID 124845202
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872415
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
4-N-(4-acetylphenyl)-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045058

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide (CID 109044848) is N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide is CC1CCN(C(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is YGHOLONTCWAOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17-12-15-24(16-13-17)22(26)20-9-7-19(8-10-20)21(25)23-14-11-18-5-3-2-4-6-18/h5,7-10,17H,2-4,6,11-16H2,1H3,(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 354.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109044848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).