3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide

C18H27N3O2 — CID 60537196

IUPAC3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-18(23)15-8-6-9-16(12-15)20-13-17(22)21-11-5-4-7-14(21)2/h6,8-9,12,14,20H,3-5,7,10-11,13H2,1-2H3,(H,19,23)
InChIKeyZHMJFFQVHZWHIT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.64
Rot. Bonds6

About 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 60537196) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID60537196
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-18(23)15-8-6-9-16(12-15)20-13-17(22)21-11-5-4-7-14(21)2/h6,8-9,12,14,20H,3-5,7,10-11,13H2,1-2H3,(H,19,23)
InChIKeyZHMJFFQVHZWHIT-UHFFFAOYSA-N
XLogP2.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838807
3-iodo-N-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59282800
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320566
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylbenzamide
CID 62654182
N-(2-methoxyethyl)-3-[(2-oxo-2-piperidin-1-ylethyl)amino]benzamide
CID 54836035
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]pyridine-3-carboxamide
CID 95272247
N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
1-[(2R)-2-methylpiperidin-1-yl]-2-[3-(1-methyltetrazol-5-yl)anilino]ethanone
CID 32977217
3-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842504
3-[(5-methyloxolan-2-yl)methylamino]-N-propylbenzamide
CID 82833688

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide (CID 60537196) is 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)N2CCCCC2C)c1.
What is the InChIKey of 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is ZHMJFFQVHZWHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-19-18(23)15-8-6-9-16(12-15)20-13-17(22)21-11-5-4-7-14(21)2/h6,8-9,12,14,20H,3-5,7,10-11,13H2,1-2H3,(H,19,23).
What are the key properties of 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 60537196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).