(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C18H27N3O3 — CID 94178642

IUPAC(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C18H27N3O3/c1-20(2)18(23)21-11-5-7-15(13-21)17(22)19-10-9-14-6-4-8-16(12-14)24-3/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyLXLAGCLQGGQSJI-HNNXBMFYSA-N
MW333.43 g/mol
LogP1.75
Rot. Bonds5

About (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 94178642) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID94178642
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C18H27N3O3/c1-20(2)18(23)21-11-5-7-15(13-21)17(22)19-10-9-14-6-4-8-16(12-14)24-3/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyLXLAGCLQGGQSJI-HNNXBMFYSA-N
XLogP1.75
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
2-(azepan-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985455
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
(3S)-1-N,1-N-diethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 51941062
1-N,1-N-dimethyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 47028685
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
(3R)-3-N-[3-(4-hydroxyphenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 99939916
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 90612016
1-N,1-N-dimethyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 47028623

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 94178642) is (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is COc1cccc(CCNC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1.
What is the InChIKey of (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is LXLAGCLQGGQSJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)18(23)21-11-5-7-15(13-21)17(22)19-10-9-14-6-4-8-16(12-14)24-3/h4,6,8,12,15H,5,7,9-11,13H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(3-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 94178642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).