N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide

C24H34N4OS — CID 109479727

IUPACN'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(/NCC1CCCN(C)C1c1cccs1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H34N4OS/c1-18-8-4-5-10-20(18)21-17-28(13-14-29-21)24(25-2)26-16-19-9-6-12-27(3)23(19)22-11-7-15-30-22/h4-5,7-8,10-11,15,19,21,23H,6,9,12-14,16-17H2,1-3H3,(H,25,26)
InChIKeyQVRRPKPMMSSXJO-UHFFFAOYSA-N
MW426.63 g/mol
LogP4.09
Rot. Bonds4

About N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide

N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide (PubChem CID 109479727) has the molecular formula C24H34N4OS and a molecular weight of 426.63 g/mol. Its IUPAC name is N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide
PubChem CID109479727
Molecular FormulaC24H34N4OS
Molecular Weight426.63 g/mol
Exact Mass426.25
IUPAC NameN'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide
SMILESC/N=C(/NCC1CCCN(C)C1c1cccs1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C24H34N4OS/c1-18-8-4-5-10-20(18)21-17-28(13-14-29-21)24(25-2)26-16-19-9-6-12-27(3)23(19)22-11-7-15-30-22/h4-5,7-8,10-11,15,19,21,23H,6,9,12-14,16-17H2,1-3H3,(H,25,26)
InChIKeyQVRRPKPMMSSXJO-UHFFFAOYSA-N
XLogP4.09
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.63
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441562
N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480572
2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 119141797
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N'-methyl-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481283
N'-methyl-2-(2-methylphenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide;hydroiodide
CID 109480237
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480520
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480279
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide (CID 109479727) is N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide is C/N=C(/NCC1CCCN(C)C1c1cccs1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is QVRRPKPMMSSXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4OS/c1-18-8-4-5-10-20(18)21-17-28(13-14-29-21)24(25-2)26-16-19-9-6-12-27(3)23(19)22-11-7-15-30-22/h4-5,7-8,10-11,15,19,21,23H,6,9,12-14,16-17H2,1-3H3,(H,25,26).
What are the key properties of N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide?
N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 426.63 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-(2-methylphenyl)-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 109479727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).