N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide

C25H39N3O5 — CID 92866879

IUPACN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCC[C@@H]3C)CC2)cc(OC)c1OC
InChIInChI=1S/C25H39N3O5/c1-18-7-5-6-11-27(18)14-10-26-23(29)15-19-8-12-28(13-9-19)25(30)20-16-21(31-2)24(33-4)22(17-20)32-3/h16-19H,5-15H2,1-4H3,(H,26,29)/t18-/m0/s1
InChIKeyRWDUEBKYYFVCKW-SFHVURJKSA-N
MW461.60 g/mol
LogP2.95
Rot. Bonds9

About N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide

N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 92866879) has the molecular formula C25H39N3O5 and a molecular weight of 461.60 g/mol. Its IUPAC name is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID92866879
Molecular FormulaC25H39N3O5
Molecular Weight461.60 g/mol
Exact Mass461.29
IUPAC NameN-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCOc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCC[C@@H]3C)CC2)cc(OC)c1OC
InChIInChI=1S/C25H39N3O5/c1-18-7-5-6-11-27(18)14-10-26-23(29)15-19-8-12-28(13-9-19)25(30)20-16-21(31-2)24(33-4)22(17-20)32-3/h16-19H,5-15H2,1-4H3,(H,26,29)/t18-/m0/s1
InChIKeyRWDUEBKYYFVCKW-SFHVURJKSA-N
XLogP2.95
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.60
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295149
N-(2-methoxyethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295127
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]acetamide
CID 92866855
2-[1-(4-methylbenzoyl)piperidin-4-yl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 46295060
N-[(4-chlorophenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295103
N-[(2,4-dimethoxyphenyl)methyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295159
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
N-(4-methylphenyl)-5-[4-[2-[2-[(2R)-2-methylpiperidin-1-yl]ethylamino]-2-oxoethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871614
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 50768018
N-(3-methoxypropyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 113003294
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide (CID 92866879) is N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is COc1cc(C(=O)N2CCC(CC(=O)NCCN3CCCC[C@@H]3C)CC2)cc(OC)c1OC.
What is the InChIKey of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is RWDUEBKYYFVCKW-SFHVURJKSA-N. The full InChI is InChI=1S/C25H39N3O5/c1-18-7-5-6-11-27(18)14-10-26-23(29)15-19-8-12-28(13-9-19)25(30)20-16-21(31-2)24(33-4)22(17-20)32-3/h16-19H,5-15H2,1-4H3,(H,26,29)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide?
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 461.60 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92866879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).