(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide

C17H26N2O — CID 93328769

IUPAC(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-18-17(20)14(2)19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyFXDPZCMEISHRLA-AWEZNQCLSA-N
MW274.41 g/mol
LogP2.47
Rot. Bonds5

About (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide

(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide (PubChem CID 93328769) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
PubChem CID93328769
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-18-17(20)14(2)19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyFXDPZCMEISHRLA-AWEZNQCLSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-2-[2-(4-benzylpiperidin-1-yl)propanoylamino]hexanoic acid
CID 120614792
2-(4-benzylpiperidin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120949029
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
(2S)-2-(4-benzylpiperidin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9430598
2-(4-benzylpiperidin-1-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119646213
2-(4-benzylpiperidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)propanamide;dihydrochloride
CID 119535685
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
1-[2-(4-benzylpiperidin-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide?
The IUPAC name of (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide (CID 93328769) is (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide?
The canonical SMILES for (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide is CCNC(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide?
The InChIKey is FXDPZCMEISHRLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-18-17(20)14(2)19-11-9-16(10-12-19)13-15-7-5-4-6-8-15/h4-8,14,16H,3,9-13H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide?
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 93328769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).