2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide

C25H33N3O2 — CID 127250136

IUPAC2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1CCOC(c2ccc(Cc3ccccc3)cn2)C1)C1CCCCC1
InChIInChI=1S/C25H33N3O2/c1-27(22-10-6-3-7-11-22)25(29)19-28-14-15-30-24(18-28)23-13-12-21(17-26-23)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,17,22,24H,3,6-7,10-11,14-16,18-19H2,1H3
InChIKeyBSHYOERRQCJNQR-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.84
Rot. Bonds6

About 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide

2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide (PubChem CID 127250136) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
PubChem CID127250136
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
SMILESCN(C(=O)CN1CCOC(c2ccc(Cc3ccccc3)cn2)C1)C1CCCCC1
InChIInChI=1S/C25H33N3O2/c1-27(22-10-6-3-7-11-22)25(29)19-28-14-15-30-24(18-28)23-13-12-21(17-26-23)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,17,22,24H,3,6-7,10-11,14-16,18-19H2,1H3
InChIKeyBSHYOERRQCJNQR-UHFFFAOYSA-N
XLogP3.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-methylacetamide
CID 110093298
3-[6-[(2S)-4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125007431
2-[(2S)-2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 125015003
2-[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-N-cyclohexyl-N-methylacetamide
CID 127251351
N,N-dimethyl-2-[2-(5-methyl-2-pyridinyl)morpholin-4-yl]acetamide
CID 110270826
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
N-(2-fluorophenyl)-2-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127250139
2-(2-benzylbenzimidazol-1-yl)-N-cyclohexyl-N-methylacetamide
CID 16995633
N,N-diethyl-2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127251415
N-cyclohexyl-N-methyl-2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]acetamide
CID 133482888
N-cyclopropyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79833048
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
The IUPAC name of 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide (CID 127250136) is 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
The canonical SMILES for 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide is CN(C(=O)CN1CCOC(c2ccc(Cc3ccccc3)cn2)C1)C1CCCCC1.
What is the InChIKey of 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
The InChIKey is BSHYOERRQCJNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-27(22-10-6-3-7-11-22)25(29)19-28-14-15-30-24(18-28)23-13-12-21(17-26-23)16-20-8-4-2-5-9-20/h2,4-5,8-9,12-13,17,22,24H,3,6-7,10-11,14-16,18-19H2,1H3.
What are the key properties of 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide?
2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide has a molecular weight of 407.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-benzyl-2-pyridinyl)morpholin-4-yl]-N-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 127250136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).