3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide

C18H27N3O2 — CID 120575814

IUPAC3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H27N3O2/c1-13-5-7-15(8-6-13)9-10-17(22)20-12-18(23)21-16-4-3-11-19-14(16)2/h5-8,14,16,19H,3-4,9-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKXCZVOCNTFFPKG-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.30
Rot. Bonds6

About 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide

3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide (PubChem CID 120575814) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
PubChem CID120575814
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NC2CCCNC2C)cc1
InChIInChI=1S/C18H27N3O2/c1-13-5-7-15(8-6-13)9-10-17(22)20-12-18(23)21-16-4-3-11-19-14(16)2/h5-8,14,16,19H,3-4,9-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyKXCZVOCNTFFPKG-UHFFFAOYSA-N
XLogP1.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-[2-(2,3-dimethylpiperazin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 120571482
2-(2,5-dimethylphenyl)-N-(2-methylpiperidin-3-yl)acetamide
CID 79041660
2-cyclohexyl-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide
CID 120577076

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide (CID 120575814) is 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide is Cc1ccc(CCC(=O)NCC(=O)NC2CCCNC2C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide?
The InChIKey is KXCZVOCNTFFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-5-7-15(8-6-13)9-10-17(22)20-12-18(23)21-16-4-3-11-19-14(16)2/h5-8,14,16,19H,3-4,9-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide?
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide has a molecular weight of 317.43 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 120575814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).