3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide

C21H33N3O4 — CID 119558164

IUPAC3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NCCC2CCCNC2)C(C)C)c1
InChIInChI=1S/C21H33N3O4/c1-14(2)19(21(26)23-9-7-15-6-5-8-22-13-15)24-20(25)16-10-17(27-3)12-18(11-16)28-4/h10-12,14-15,19,22H,5-9,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeySNQXTZORWNTQHF-UHFFFAOYSA-N
MW391.51 g/mol
LogP1.96
Rot. Bonds9

About 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide

3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide (PubChem CID 119558164) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
PubChem CID119558164
Molecular FormulaC21H33N3O4
Molecular Weight391.51 g/mol
Exact Mass391.25
IUPAC Name3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NCCC2CCCNC2)C(C)C)c1
InChIInChI=1S/C21H33N3O4/c1-14(2)19(21(26)23-9-7-15-6-5-8-22-13-15)24-20(25)16-10-17(27-3)12-18(11-16)28-4/h10-12,14-15,19,22H,5-9,13H2,1-4H3,(H,23,26)(H,24,25)
InChIKeySNQXTZORWNTQHF-UHFFFAOYSA-N
XLogP1.96
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
CID 119461802
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119513287
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119558012
4-chloro-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)pentan-2-yl]benzamide
CID 119554960
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
2-(4-methoxyphenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119555109
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide (CID 119558164) is 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide is COc1cc(OC)cc(C(=O)NC(C(=O)NCCC2CCCNC2)C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide?
The InChIKey is SNQXTZORWNTQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-14(2)19(21(26)23-9-7-15-6-5-8-22-13-15)24-20(25)16-10-17(27-3)12-18(11-16)28-4/h10-12,14-15,19,22H,5-9,13H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide?
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide has a molecular weight of 391.51 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 119558164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).