3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide

C22H28N4O3 — CID 49292646

IUPAC3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)NC2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-23-21(27)17-7-5-6-16(14-17)15-24-22(28)25-18-10-12-26(13-11-18)19-8-3-4-9-20(19)29-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyLRUSJQAMVGYXOV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.52
Rot. Bonds6

About 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide

3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide (PubChem CID 49292646) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide
PubChem CID49292646
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CNC(=O)NC2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H28N4O3/c1-23-21(27)17-7-5-6-16(14-17)15-24-22(28)25-18-10-12-26(13-11-18)19-8-3-4-9-20(19)29-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,27)(H2,24,25,28)
InChIKeyLRUSJQAMVGYXOV-UHFFFAOYSA-N
XLogP2.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[[N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632133
3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 46043451
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49205489
N-[1-(2-methoxyphenyl)piperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 49204925
2-(cyclopropylmethylamino)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119866151
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
(3S)-N-[1-(2-methoxyphenyl)piperidin-4-yl]-3-methylsulfanylbutanamide
CID 124614264
3-[[[1-(3-methylbut-2-enyl)piperidin-4-yl]carbamoylamino]methyl]benzamide
CID 75370045
2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethylcarbamic acid
CID 22615426
N-[(3-bromophenyl)methyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 108898943
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide (CID 49292646) is 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(CNC(=O)NC2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide?
The InChIKey is LRUSJQAMVGYXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-23-21(27)17-7-5-6-16(14-17)15-24-22(28)25-18-10-12-26(13-11-18)19-8-3-4-9-20(19)29-2/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,27)(H2,24,25,28).
What are the key properties of 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide?
3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(2-methoxyphenyl)piperidin-4-yl]carbamoylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 49292646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).