4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide

C19H29N3O3 — CID 119461802

IUPAC4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC2CCCNC2)C(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)17(19(24)21-12-14-5-4-10-20-11-14)22-18(23)15-6-8-16(25-3)9-7-15/h6-9,13-14,17,20H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJZWHFCAYWYGUPS-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.57
Rot. Bonds7

About 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide

4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide (PubChem CID 119461802) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
PubChem CID119461802
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide
SMILESCOc1ccc(C(=O)NC(C(=O)NCC2CCCNC2)C(C)C)cc1
InChIInChI=1S/C19H29N3O3/c1-13(2)17(19(24)21-12-14-5-4-10-20-11-14)22-18(23)15-6-8-16(25-3)9-7-15/h6-9,13-14,17,20H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJZWHFCAYWYGUPS-UHFFFAOYSA-N
XLogP1.57
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119511819
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
3-methyl-2-(3-methylbutanoylamino)-N-(piperidin-3-ylmethyl)butanamide
CID 119464375
4-chloro-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]benzamide;hydrochloride
CID 119464126
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
N-[1-[(2-tert-butyloxan-3-yl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 86971626
4-methyl-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119534796
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(pyrrolidin-2-ylmethylamino)butan-2-yl]benzamide;hydrochloride
CID 119513287
4-methoxy-N-[3-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxobutan-2-yl]benzamide
CID 120577935
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide (CID 119461802) is 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide is COc1ccc(C(=O)NC(C(=O)NCC2CCCNC2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide?
The InChIKey is JZWHFCAYWYGUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(2)17(19(24)21-12-14-5-4-10-20-11-14)22-18(23)15-6-8-16(25-3)9-7-15/h6-9,13-14,17,20H,4-5,10-12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide?
4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide has a molecular weight of 347.46 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-1-oxo-1-(piperidin-3-ylmethylamino)butan-2-yl]benzamide is sourced from PubChem (CID 119461802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).