3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide

C18H28N4O3 — CID 97435997

IUPAC3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide
SMILESCOCCN1CCC[C@@H](CN(C)C(=O)Nc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C18H28N4O3/c1-21(12-14-5-4-8-22(13-14)9-10-25-2)18(24)20-16-7-3-6-15(11-16)17(19)23/h3,6-7,11,14H,4-5,8-10,12-13H2,1-2H3,(H2,19,23)(H,20,24)/t14-/m0/s1
InChIKeyYATAUODDQRJIOH-AWEZNQCLSA-N
MW348.45 g/mol
LogP1.61
Rot. Bonds7

About 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide

3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide (PubChem CID 97435997) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide
PubChem CID97435997
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide
SMILESCOCCN1CCC[C@@H](CN(C)C(=O)Nc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C18H28N4O3/c1-21(12-14-5-4-8-22(13-14)9-10-25-2)18(24)20-16-7-3-6-15(11-16)17(19)23/h3,6-7,11,14H,4-5,8-10,12-13H2,1-2H3,(H2,19,23)(H,20,24)/t14-/m0/s1
InChIKeyYATAUODDQRJIOH-AWEZNQCLSA-N
XLogP1.61
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 42456744
1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 26391346
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-3-(4-methylphenyl)benzamide
CID 125176783
1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-methyl-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 72928653
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]-N-methyl-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500918
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
1-(3-acetylphenyl)-3-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]urea
CID 95155114
3-(2,4-dimethylphenyl)-1-methyl-1-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]urea
CID 42593982
3-(butanoylamino)-N-[(1-propylpiperidin-3-yl)methyl]benzamide
CID 46984845
3-[4-(aminomethyl)phenyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 63274287
1-[3-[[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylamino]methyl]phenyl]ethanone
CID 25459452
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356

Frequently Asked Questions

What is the IUPAC name of 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide?
The IUPAC name of 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide (CID 97435997) is 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide.
What is the SMILES notation for 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide?
The canonical SMILES for 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide is COCCN1CCC[C@@H](CN(C)C(=O)Nc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide?
The InChIKey is YATAUODDQRJIOH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-21(12-14-5-4-8-22(13-14)9-10-25-2)18(24)20-16-7-3-6-15(11-16)17(19)23/h3,6-7,11,14H,4-5,8-10,12-13H2,1-2H3,(H2,19,23)(H,20,24)/t14-/m0/s1.
What are the key properties of 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide?
3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide has a molecular weight of 348.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl-methylcarbamoyl]amino]benzamide is sourced from PubChem (CID 97435997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).