3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide

C18H27N3O3 — CID 3872908

IUPAC3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C18H27N3O3/c1-4-20(5-2)17(22)14-8-7-11-21(13-14)18(23)19-15-9-6-10-16(12-15)24-3/h6,9-10,12,14H,4-5,7-8,11,13H2,1-3H3,(H,19,23)
InChIKeyNPQLSPVUAXYTGP-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.81
Rot. Bonds5

About 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide

3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 3872908) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID3872908
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2cccc(OC)c2)C1
InChIInChI=1S/C18H27N3O3/c1-4-20(5-2)17(22)14-8-7-11-21(13-14)18(23)19-15-9-6-10-16(12-15)24-3/h6,9-10,12,14H,4-5,7-8,11,13H2,1-3H3,(H,19,23)
InChIKeyNPQLSPVUAXYTGP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3S)-3-N-tert-butyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7435243
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
1-N-(2,1,3-benzothiadiazol-5-yl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 2925009
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
CID 23994751
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 3872908) is 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2cccc(OC)c2)C1.
What is the InChIKey of 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is NPQLSPVUAXYTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-20(5-2)17(22)14-8-7-11-21(13-14)18(23)19-15-9-6-10-16(12-15)24-3/h6,9-10,12,14H,4-5,7-8,11,13H2,1-3H3,(H,19,23).
What are the key properties of 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide?
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 3872908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).