1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide

C22H27N3O2 — CID 53117404

IUPAC1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-22(20(26)23-15-18-9-4-2-5-10-18)13-8-14-25(17-22)21(27)24-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,23,26)(H,24,27)
InChIKeyGBQRAHNGVRXXRV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.31
Rot. Bonds5

About 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide

1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 53117404) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
PubChem CID53117404
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
SMILESCC1(C(=O)NCc2ccccc2)CCCN(C(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H27N3O2/c1-22(20(26)23-15-18-9-4-2-5-10-18)13-8-14-25(17-22)21(27)24-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,23,26)(H,24,27)
InChIKeyGBQRAHNGVRXXRV-UHFFFAOYSA-N
XLogP3.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 53011171
(3R)-N-benzyl-1-butanoyl-3-methylpiperidine-3-carboxamide
CID 93071246
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3R)-N-benzyl-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 93071245
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
(3S)-N-benzyl-1-(4-bromobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087595
(3S)-3-N-benzyl-1-N-(2-ethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 93071343

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide (CID 53117404) is 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide is CC1(C(=O)NCc2ccccc2)CCCN(C(=O)NCc2ccccc2)C1.
What is the InChIKey of 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is GBQRAHNGVRXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(20(26)23-15-18-9-4-2-5-10-18)13-8-14-25(17-22)21(27)24-16-19-11-6-3-7-12-19/h2-7,9-12H,8,13-17H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide?
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 53117404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).