N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide

C17H26N2O — CID 124689334

IUPACN-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide
SMILESCc1cccc([C@H](C)CNC(=O)CC2CCNCC2)c1
InChIInChI=1S/C17H26N2O/c1-13-4-3-5-16(10-13)14(2)12-19-17(20)11-15-6-8-18-9-7-15/h3-5,10,14-15,18H,6-9,11-12H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyPUUXKUCJCSFYEN-CQSZACIVSA-N
MW274.41 g/mol
LogP2.60
Rot. Bonds5

About N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide

N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide (PubChem CID 124689334) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide
PubChem CID124689334
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide
SMILESCc1cccc([C@H](C)CNC(=O)CC2CCNCC2)c1
InChIInChI=1S/C17H26N2O/c1-13-4-3-5-16(10-13)14(2)12-19-17(20)11-15-6-8-18-9-7-15/h3-5,10,14-15,18H,6-9,11-12H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyPUUXKUCJCSFYEN-CQSZACIVSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide (CID 124689334) is N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide is Cc1cccc([C@H](C)CNC(=O)CC2CCNCC2)c1.
What is the InChIKey of N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide?
The InChIKey is PUUXKUCJCSFYEN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-4-3-5-16(10-13)14(2)12-19-17(20)11-15-6-8-18-9-7-15/h3-5,10,14-15,18H,6-9,11-12H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide?
N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-methylphenyl)propyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 124689334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).