N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C20H29N3O3 — CID 38008538

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-14(2)19(25)23-11-9-16(10-12-23)20(26)22(4)13-18(24)21-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,21,24)
InChIKeyPTUQGQQGROOLSB-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 38008538) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID38008538
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1
InChIInChI=1S/C20H29N3O3/c1-14(2)19(25)23-11-9-16(10-12-23)20(26)22(4)13-18(24)21-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,21,24)
InChIKeyPTUQGQQGROOLSB-UHFFFAOYSA-N
XLogP2.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 2672753
ethyl 1-[(2S)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]propanoyl]piperidine-4-carboxylate
CID 8785410
N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489817
N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55720056
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
4-N-[2-(4-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9438322
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 18112338
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
2,2,2-trifluoroethyl 4-[[2-(4-chloroanilino)-2-oxoethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 18132716
N-(4-acetamidophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31669191
2-[methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729509

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 38008538) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)CN(C)C(=O)C2CCN(C(=O)C(C)C)CC2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is PTUQGQQGROOLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)19(25)23-11-9-16(10-12-23)20(26)22(4)13-18(24)21-17-7-5-15(3)6-8-17/h5-8,14,16H,9-13H2,1-4H3,(H,21,24).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 38008538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).