2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene

C19H28N2O — CID 177155554

IUPAC2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene
SMILESC=C.Cc1cc(CC2CC2)c(C(N)=O)cc1C1CCCNC1
InChIInChI=1S/C17H24N2O.C2H4/c1-11-7-14(8-12-4-5-12)16(17(18)20)9-15(11)13-3-2-6-19-10-13;1-2/h7,9,12-13,19H,2-6,8,10H2,1H3,(H2,18,20);1-2H2
InChIKeyCKUNIVFUPQQTMM-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.32
Rot. Bonds4

About 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene

2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene (PubChem CID 177155554) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene
PubChem CID177155554
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene
SMILESC=C.Cc1cc(CC2CC2)c(C(N)=O)cc1C1CCCNC1
InChIInChI=1S/C17H24N2O.C2H4/c1-11-7-14(8-12-4-5-12)16(17(18)20)9-15(11)13-3-2-6-19-10-13;1-2/h7,9,12-13,19H,2-6,8,10H2,1H3,(H2,18,20);1-2H2
InChIKeyCKUNIVFUPQQTMM-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.32
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

2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117371269
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
4,5-dimethyl-2-piperidin-3-ylaniline
CID 166143865
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2,5-bis(pyrrolidin-3-ylmethyl)benzamide
CID 152557233
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)piperidine
CID 117371265
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
5-piperidin-3-yl-1H-pyrazole-4-carboxamide;hydrochloride
CID 126780501

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene (CID 177155554) is 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene is C=C.Cc1cc(CC2CC2)c(C(N)=O)cc1C1CCCNC1.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene?
The InChIKey is CKUNIVFUPQQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C2H4/c1-11-7-14(8-12-4-5-12)16(17(18)20)9-15(11)13-3-2-6-19-10-13;1-2/h7,9,12-13,19H,2-6,8,10H2,1H3,(H2,18,20);1-2H2.
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene?
2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene has a molecular weight of 300.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-5-piperidin-3-ylbenzamide;ethene is sourced from PubChem (CID 177155554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).