N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide

C26H36N2O2 — CID 35577875

IUPACN-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1
InChIInChI=1S/C26H36N2O2/c1-4-18-30-25-11-7-6-10-23(25)26(29)27-19-24(28-16-8-5-9-17-28)22-14-12-21(13-15-22)20(2)3/h6-7,10-15,20,24H,4-5,8-9,16-19H2,1-3H3,(H,27,29)/t24-/m1/s1
InChIKeyBJXMLFGHFJUXEK-XMMPIXPASA-N
MW408.59 g/mol
LogP5.56
Rot. Bonds9

About N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide

N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide (PubChem CID 35577875) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
PubChem CID35577875
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1
InChIInChI=1S/C26H36N2O2/c1-4-18-30-25-11-7-6-10-23(25)26(29)27-19-24(28-16-8-5-9-17-28)22-14-12-21(13-15-22)20(2)3/h6-7,10-15,20,24H,4-5,8-9,16-19H2,1-3H3,(H,27,29)/t24-/m1/s1
InChIKeyBJXMLFGHFJUXEK-XMMPIXPASA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide;hydrochloride
CID 52984933
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
2-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 45155494
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
2-butoxy-N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43843608
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide?
The IUPAC name of N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide (CID 35577875) is N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide.
What is the SMILES notation for N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide?
The canonical SMILES for N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide?
The InChIKey is BJXMLFGHFJUXEK-XMMPIXPASA-N. The full InChI is InChI=1S/C26H36N2O2/c1-4-18-30-25-11-7-6-10-23(25)26(29)27-19-24(28-16-8-5-9-17-28)22-14-12-21(13-15-22)20(2)3/h6-7,10-15,20,24H,4-5,8-9,16-19H2,1-3H3,(H,27,29)/t24-/m1/s1.
What are the key properties of N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide?
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide has a molecular weight of 408.59 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide is sourced from PubChem (CID 35577875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).