N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide

C19H27N3O3 — CID 108560462

IUPACN,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-4-6-15(7-5-14)17(23)8-9-18(24)20-16-10-12-22(13-11-16)19(25)21(2)3/h4-7,16H,8-13H2,1-3H3,(H,20,24)
InChIKeyMGBAOIMUIFDCHS-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.22
Rot. Bonds5

About N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide

N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide (PubChem CID 108560462) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
PubChem CID108560462
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)N(C)C)CC2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-4-6-15(7-5-14)17(23)8-9-18(24)20-16-10-12-22(13-11-16)19(25)21(2)3/h4-7,16H,8-13H2,1-3H3,(H,20,24)
InChIKeyMGBAOIMUIFDCHS-UHFFFAOYSA-N
XLogP2.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N,N-dimethyl-4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxamide
CID 108561105
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552093
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664
4-(4-methylphenyl)-4-oxo-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]butanamide
CID 108552059
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
3-(4-chlorophenyl)-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556580

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide (CID 108560462) is N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide is Cc1ccc(C(=O)CCC(=O)NC2CCN(C(=O)N(C)C)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide?
The InChIKey is MGBAOIMUIFDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-4-6-15(7-5-14)17(23)8-9-18(24)20-16-10-12-22(13-11-16)19(25)21(2)3/h4-7,16H,8-13H2,1-3H3,(H,20,24).
What are the key properties of N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide?
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 108560462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).