N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide

C26H36N2O2 — CID 133186501

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C
InChIInChI=1S/C26H36N2O2/c1-18(2)23-16-24(19(3)15-25(23)30-5)20(4)27-26(29)22-11-9-21(10-12-22)17-28-13-7-6-8-14-28/h9-12,15-16,18,20H,6-8,13-14,17H2,1-5H3,(H,27,29)
InChIKeyUDDNHOYOYVZVLY-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.60
Rot. Bonds7

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 133186501) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID133186501
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1cc(C)c(C(C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C
InChIInChI=1S/C26H36N2O2/c1-18(2)23-16-24(19(3)15-25(23)30-5)20(4)27-26(29)22-11-9-21(10-12-22)17-28-13-7-6-8-14-28/h9-12,15-16,18,20H,6-8,13-14,17H2,1-5H3,(H,27,29)
InChIKeyUDDNHOYOYVZVLY-UHFFFAOYSA-N
XLogP5.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 133217343
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 133186522
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133217613
N-[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 25439790
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
4-[ethylsulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 125086247
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133217462
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 133186484

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 133186501) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide is COc1cc(C)c(C(C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is UDDNHOYOYVZVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-18(2)23-16-24(19(3)15-25(23)30-5)20(4)27-26(29)22-11-9-21(10-12-22)17-28-13-7-6-8-14-28/h9-12,15-16,18,20H,6-8,13-14,17H2,1-5H3,(H,27,29).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 408.59 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 133186501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).