2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

C18H26N2O — CID 110754744

IUPAC2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-2-4-16(5-3-14)13-19-18(21)12-15-8-10-20(11-9-15)17-6-7-17/h2-5,15,17H,6-13H2,1H3,(H,19,21)
InChIKeyDMHVVELVBUXHBA-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.88
Rot. Bonds5

About 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide

2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 110754744) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
PubChem CID110754744
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CC2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-2-4-16(5-3-14)13-19-18(21)12-15-8-10-20(11-9-15)17-6-7-17/h2-5,15,17H,6-13H2,1H3,(H,19,21)
InChIKeyDMHVVELVBUXHBA-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N-[(4-ethylphenyl)methyl]-2-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 46295096
2-(1-cyclopropylpiperidin-4-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 110754765
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767947
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 60975482
2-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 61235743
ethyl 3,5-dimethyl-4-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]piperidine-1-carbonyl]-1H-pyrrole-2-carboxylate
CID 20934069
N-[(3-methylphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 46294875
2-(1-cyclopropylpiperidin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110754837

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide (CID 110754744) is 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CC2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is DMHVVELVBUXHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-2-4-16(5-3-14)13-19-18(21)12-15-8-10-20(11-9-15)17-6-7-17/h2-5,15,17H,6-13H2,1H3,(H,19,21).
What are the key properties of 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide?
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 110754744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).