1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

C25H34N4O2 — CID 71752990

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i2D2,3D2,4D2,9D2,10D2,21D
InChIKeySBPRIAGPYFYCRT-DBGRRATNSA-N
MW433.64 g/mol
LogP3.83
Rot. Bonds7

About 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (PubChem CID 71752990) has the molecular formula C25H34N4O2 and a molecular weight of 433.64 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
PubChem CID71752990
Molecular FormulaC25H34N4O2
Molecular Weight433.64 g/mol
Exact Mass433.34
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
SMILES[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i2D2,3D2,4D2,9D2,10D2,21D
InChIKeySBPRIAGPYFYCRT-DBGRRATNSA-N
XLogP3.83
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-methoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 10623523
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-ylbenzamide
CID 10365405
1-(hydroxymethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 140642007
[2-[4-[2-[cyclohexanecarbonyl(pyridin-2-yl)amino]ethyl]piperazin-1-yl]phenyl] sulfite
CID 10344749
3-(fluoromethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yladamantane-1-carboxamide
CID 57403172
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyrimidin-2-ylbenzamide
CID 78387585
N-(6-iodo-2-pyridinyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 10325198
N-[2-[4-[4-(butanoylamino)-2-methoxyphenyl]piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 70238622
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 23290924
4-((18F)fluoromethyl)-N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 71506900
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 22458201
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-yl]-N-pyridin-2-ylcyclohexanecarboxamide
CID 609668

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide (CID 71752990) is 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(C(=O)N(CCN2CCN(c3ccccc3OC)CC2)c2ccccn2)C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
The InChIKey is SBPRIAGPYFYCRT-DBGRRATNSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i2D2,3D2,4D2,9D2,10D2,21D.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide has a molecular weight of 433.64 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 71752990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).