1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide

C28H41N3O2 — CID 173494635

IUPAC1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CC[C@@H]3C[C@H]4CC2C[C@@H]3C4)CC1
InChIInChI=1S/C28H41N3O2/c1-19(2)31(18-20-6-4-3-5-7-20)28(33)30-12-10-22(11-13-30)27(32)29-26-9-8-23-14-21-15-24(23)17-25(26)16-21/h3-7,19,21-26H,8-18H2,1-2H3,(H,29,32)/t21-,23-,24+,25?,26?/m1/s1
InChIKeyZFEJEROYBQWUSL-KUNPPPFKSA-N
MW451.66 g/mol
LogP5.06
Rot. Bonds5

About 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide

1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide (PubChem CID 173494635) has the molecular formula C28H41N3O2 and a molecular weight of 451.66 g/mol. Its IUPAC name is 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide
PubChem CID173494635
Molecular FormulaC28H41N3O2
Molecular Weight451.66 g/mol
Exact Mass451.32
IUPAC Name1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CC[C@@H]3C[C@H]4CC2C[C@@H]3C4)CC1
InChIInChI=1S/C28H41N3O2/c1-19(2)31(18-20-6-4-3-5-7-20)28(33)30-12-10-22(11-13-30)27(32)29-26-9-8-23-14-21-15-24(23)17-25(26)16-21/h3-7,19,21-26H,8-18H2,1-2H3,(H,29,32)/t21-,23-,24+,25?,26?/m1/s1
InChIKeyZFEJEROYBQWUSL-KUNPPPFKSA-N
XLogP5.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.66
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

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CID 18557022
1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
CID 119894122
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
4-N-[2-(aminomethyl)cyclopentyl]-1-N-benzyl-1-N-methylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119605290
1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-N-(6-tricyclo[5.3.1.03,9]undecanyl)piperidine-4-carboxamide
CID 71146746
1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
4-N-benzyl-1-N-phenyl-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109149711
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide (CID 173494635) is 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)N1CCC(C(=O)NC2CC[C@@H]3C[C@H]4CC2C[C@@H]3C4)CC1.
What is the InChIKey of 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide?
The InChIKey is ZFEJEROYBQWUSL-KUNPPPFKSA-N. The full InChI is InChI=1S/C28H41N3O2/c1-19(2)31(18-20-6-4-3-5-7-20)28(33)30-12-10-22(11-13-30)27(32)29-26-9-8-23-14-21-15-24(23)17-25(26)16-21/h3-7,19,21-26H,8-18H2,1-2H3,(H,29,32)/t21-,23-,24+,25?,26?/m1/s1.
What are the key properties of 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide?
1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide has a molecular weight of 451.66 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-1-N-propan-2-yl-4-N-[(1R,3R,9S)-6-tricyclo[5.3.1.03,9]undecanyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 173494635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).