4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide

C18H27N3O2 — CID 54835990

IUPAC4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-18(23)15-4-6-16(7-5-15)20-13-17(22)21-11-8-14(2)9-12-21/h4-7,14,20H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyKNSVLGSABMSYSI-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.50
Rot. Bonds6

About 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide

4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54835990) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54835990
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H27N3O2/c1-3-10-19-18(23)15-4-6-16(7-5-15)20-13-17(22)21-11-8-14(2)9-12-21/h4-7,14,20H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyKNSVLGSABMSYSI-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836236
N-ethyl-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839291
(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184
N-(2-methoxyethyl)-4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836112
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830445
4-(dimethylsulfamoyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 112990991
2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54825440
4-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54831969

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide (CID 54835990) is 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is KNSVLGSABMSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-10-19-18(23)15-4-6-16(7-5-15)20-13-17(22)21-11-8-14(2)9-12-21/h4-7,14,20H,3,8-13H2,1-2H3,(H,19,23).
What are the key properties of 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide?
4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 317.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54835990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).