N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide

C18H29N3O — CID 119933101

IUPACN-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(C)c(C)c1)C1CCNCC1
InChIInChI=1S/C18H29N3O/c1-4-11-21(17-7-9-19-10-8-17)13-18(22)20-16-6-5-14(2)15(3)12-16/h5-6,12,17,19H,4,7-11,13H2,1-3H3,(H,20,22)
InChIKeyNHBHWQHMUZXDSO-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.71
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide

N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide (PubChem CID 119933101) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
PubChem CID119933101
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(C)c(C)c1)C1CCNCC1
InChIInChI=1S/C18H29N3O/c1-4-11-21(17-7-9-19-10-8-17)13-18(22)20-16-6-5-14(2)15(3)12-16/h5-6,12,17,19H,4,7-11,13H2,1-3H3,(H,20,22)
InChIKeyNHBHWQHMUZXDSO-UHFFFAOYSA-N
XLogP2.71
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932900
N-(4-bromo-3-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921556
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601
N-(3-chloro-4-fluorophenyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119933053
2-[piperidin-4-yl(propyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119932780
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921603
N-(4-fluorophenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921606
N-(1,3-benzodioxol-5-yl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921602
N-(4-methoxyphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921557
N-(2-methoxy-5-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932950
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide (CID 119933101) is N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(C)c(C)c1)C1CCNCC1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
The InChIKey is NHBHWQHMUZXDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-11-21(17-7-9-19-10-8-17)13-18(22)20-16-6-5-14(2)15(3)12-16/h5-6,12,17,19H,4,7-11,13H2,1-3H3,(H,20,22).
What are the key properties of N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide?
N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide has a molecular weight of 303.45 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide is sourced from PubChem (CID 119933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).