N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide

C16H24N2O — CID 62690046

IUPACN-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
SMILESCc1cccc(CCNC(=O)CC2CCCNC2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-2-5-14(10-13)7-9-18-16(19)11-15-6-3-8-17-12-15/h2,4-5,10,15,17H,3,6-9,11-12H2,1H3,(H,18,19)
InChIKeyQQUIYROANMGFCQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide

N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide (PubChem CID 62690046) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
PubChem CID62690046
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
SMILESCc1cccc(CCNC(=O)CC2CCCNC2)c1
InChIInChI=1S/C16H24N2O/c1-13-4-2-5-14(10-13)7-9-18-16(19)11-15-6-3-8-17-12-15/h2,4-5,10,15,17H,3,6-9,11-12H2,1H3,(H,18,19)
InChIKeyQQUIYROANMGFCQ-UHFFFAOYSA-N
XLogP2.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
2-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylpropanamide
CID 83034566
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80563288
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
2-[3-[(3-methylphenyl)methoxy]phenyl]-N-(2-piperidin-3-ylethyl)acetamide
CID 119556601
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-[(3-methoxyphenyl)methyl]-2-piperidin-3-ylacetamide
CID 62691062
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 62315398

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide (CID 62690046) is N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide is Cc1cccc(CCNC(=O)CC2CCCNC2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide?
The InChIKey is QQUIYROANMGFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-4-2-5-14(10-13)7-9-18-16(19)11-15-6-3-8-17-12-15/h2,4-5,10,15,17H,3,6-9,11-12H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide?
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62690046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).