N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

C20H29N3O3 — CID 49492924

IUPACN-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CN(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15(2)13-19(25)23-11-9-17(10-12-23)21-18(24)14-22(3)20(26)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,24)
InChIKeyQTTANTGDFAREGH-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.91
Rot. Bonds6

About N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide

N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 49492924) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID49492924
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)CN(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H29N3O3/c1-15(2)13-19(25)23-11-9-17(10-12-23)21-18(24)14-22(3)20(26)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,24)
InChIKeyQTTANTGDFAREGH-UHFFFAOYSA-N
XLogP1.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
3-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819666
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119755729
3-(2-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]propanamide
CID 110819642
(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 97278730
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylpropanamide;hydrochloride
CID 120590622

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 49492924) is N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is CC(C)CC(=O)N1CCC(NC(=O)CN(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is QTTANTGDFAREGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-15(2)13-19(25)23-11-9-17(10-12-23)21-18(24)14-22(3)20(26)16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3,(H,21,24).
What are the key properties of N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide?
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 49492924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).