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

C17H26N2O — CID 62315398

IUPACN-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
SMILESCc1cccc(CCNC(=O)CCC2CCCCN2)c1
InChIInChI=1S/C17H26N2O/c1-14-5-4-6-15(13-14)10-12-19-17(20)9-8-16-7-2-3-11-18-16/h4-6,13,16,18H,2-3,7-12H2,1H3,(H,19,20)
InChIKeyGCOBIXPFKBQXDE-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds6

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

N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide (PubChem CID 62315398) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
PubChem CID62315398
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide
SMILESCc1cccc(CCNC(=O)CCC2CCCCN2)c1
InChIInChI=1S/C17H26N2O/c1-14-5-4-6-15(13-14)10-12-19-17(20)9-8-16-7-2-3-11-18-16/h4-6,13,16,18H,2-3,7-12H2,1H3,(H,19,20)
InChIKeyGCOBIXPFKBQXDE-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869
2-[2-(3-methylphenyl)ethyl]azepane
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N-[2-(3-methylphenyl)ethyl]-3-piperidin-4-yloxypropanamide
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N-[2-(3-methylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937610
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
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N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 63304882
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 80518129
2-(2,5-dimethylphenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]acetamide
CID 104955056
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide (CID 62315398) is N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide is Cc1cccc(CCNC(=O)CCC2CCCCN2)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide?
The InChIKey is GCOBIXPFKBQXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-5-4-6-15(13-14)10-12-19-17(20)9-8-16-7-2-3-11-18-16/h4-6,13,16,18H,2-3,7-12H2,1H3,(H,19,20).
What are the key properties of N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide?
N-[2-(3-methylphenyl)ethyl]-3-piperidin-2-ylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.58, 6 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]-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 62315398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).