N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide

C18H27N3O2 — CID 119321965

IUPACN-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNCC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-12-5-6-14(11-15(12)21-17(23)18(2,3)4)20-16(22)13-7-9-19-10-8-13/h5-6,11,13,19H,7-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyOFBQJODIWTXCRX-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.92
Rot. Bonds3

About N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide

N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide (PubChem CID 119321965) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
PubChem CID119321965
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCNCC2)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-12-5-6-14(11-15(12)21-17(23)18(2,3)4)20-16(22)13-7-9-19-10-8-13/h5-6,11,13,19H,7-10H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyOFBQJODIWTXCRX-UHFFFAOYSA-N
XLogP2.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
N-[4-methyl-3-(piperidin-4-ylmethylcarbamoylamino)phenyl]cyclopentanecarboxamide
CID 118785519
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
N-[3-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 87001215
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
9-amino-N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989651
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
N-(4-methyl-3-piperidin-4-ylphenyl)cyclopropanecarboxamide
CID 86235737
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119321959

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide (CID 119321965) is N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCNCC2)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide?
The InChIKey is OFBQJODIWTXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-5-6-14(11-15(12)21-17(23)18(2,3)4)20-16(22)13-7-9-19-10-8-13/h5-6,11,13,19H,7-10H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide?
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119321965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).