N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

C18H27N3O2 — CID 71840485

IUPACN-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccc(C)cc2C)C1
InChIInChI=1S/C18H27N3O2/c1-4-17(22)19-11-15-6-5-9-21(12-15)18(23)20-16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMMGGGHYNZJIABZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.07
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide

N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (PubChem CID 71840485) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
PubChem CID71840485
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
SMILESCCC(=O)NCC1CCCN(C(=O)Nc2ccc(C)cc2C)C1
InChIInChI=1S/C18H27N3O2/c1-4-17(22)19-11-15-6-5-9-21(12-15)18(23)20-16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyMMGGGHYNZJIABZ-UHFFFAOYSA-N
XLogP3.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
N-(2,4-difluorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840473
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
N-(4-bromo-3-methylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840480
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110857208
1-[[(3R)-1-cyclopentylpyrrolidin-3-yl]methyl]-3-(2,4-dimethylphenyl)urea
CID 92717372
1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 50845712
N-(4-acetamido-3-methylphenyl)-3-[(pyrrolidine-2-carbonylamino)methyl]piperidine-1-carboxamide
CID 166402158
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
3-[1-[(4-carbamoyl-2-methylphenyl)carbamoyl]piperidin-3-yl]propanoic acid
CID 146096658

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide (CID 71840485) is N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is CCC(=O)NCC1CCCN(C(=O)Nc2ccc(C)cc2C)C1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
The InChIKey is MMGGGHYNZJIABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-17(22)19-11-15-6-5-9-21(12-15)18(23)20-16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide?
N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71840485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).