N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide

C18H26N2O3 — CID 71994599

IUPACN-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-3-12-23-16-8-4-14(5-9-16)6-10-17(21)19-15-7-11-18(22)20(2)13-15/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyKIQAJVHOGBAKCL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.14
Rot. Bonds7

About N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide

N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide (PubChem CID 71994599) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
PubChem CID71994599
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CCC(=O)NC2CCC(=O)N(C)C2)cc1
InChIInChI=1S/C18H26N2O3/c1-3-12-23-16-8-4-14(5-9-16)6-10-17(21)19-15-7-11-18(22)20(2)13-15/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,19,21)
InChIKeyKIQAJVHOGBAKCL-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminophenyl)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64655886
N-piperidin-3-yl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119427303
3-(3,5-dichlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 75494351
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
2-(4-aminophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64654058
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119457887
2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 126442191
2-[4-(aminomethyl)phenyl]-N-(1-methyl-6-oxopiperidin-3-yl)acetamide
CID 64656494
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
3-benzylsulfanyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 135089627
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
2-methyl-2-[3-(4-propoxyphenyl)propanoylamino]propanoic acid
CID 119187557

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide?
The IUPAC name of N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide (CID 71994599) is N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide.
What is the SMILES notation for N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide?
The canonical SMILES for N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide is CCCOc1ccc(CCC(=O)NC2CCC(=O)N(C)C2)cc1.
What is the InChIKey of N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide?
The InChIKey is KIQAJVHOGBAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-12-23-16-8-4-14(5-9-16)6-10-17(21)19-15-7-11-18(22)20(2)13-15/h4-5,8-9,15H,3,6-7,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide?
N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxopiperidin-3-yl)-3-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 71994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).