N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide

C30H43N3O3 — CID 70248448

IUPACN-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccccc1C(CNC(=O)Cc1cccc(OC(C)C)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C30H43N3O3/c1-23(2)36-26-11-9-10-24(20-26)21-30(34)31-22-28(27-12-5-6-13-29(27)35-3)33-18-14-25(15-19-33)32-16-7-4-8-17-32/h5-6,9-13,20,23,25,28H,4,7-8,14-19,21-22H2,1-3H3,(H,31,34)
InChIKeyBJZPYOLQFLTQLM-UHFFFAOYSA-N
MW493.69 g/mol
LogP4.83
Rot. Bonds10

About N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide

N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide (PubChem CID 70248448) has the molecular formula C30H43N3O3 and a molecular weight of 493.69 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide
PubChem CID70248448
Molecular FormulaC30H43N3O3
Molecular Weight493.69 g/mol
Exact Mass493.33
IUPAC NameN-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide
SMILESCOc1ccccc1C(CNC(=O)Cc1cccc(OC(C)C)c1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C30H43N3O3/c1-23(2)36-26-11-9-10-24(20-26)21-30(34)31-22-28(27-12-5-6-13-29(27)35-3)33-18-14-25(15-19-33)32-16-7-4-8-17-32/h5-6,9-13,20,23,25,28H,4,7-8,14-19,21-22H2,1-3H3,(H,31,34)
InChIKeyBJZPYOLQFLTQLM-UHFFFAOYSA-N
XLogP4.83
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.69
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 78888436
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]urea
CID 21256622
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
2-(5-chloro-2-methoxyphenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 51926822
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclobutanecarboxamide
CID 30522180
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390
5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55854474
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide (CID 70248448) is N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide is COc1ccccc1C(CNC(=O)Cc1cccc(OC(C)C)c1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide?
The InChIKey is BJZPYOLQFLTQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O3/c1-23(2)36-26-11-9-10-24(20-26)21-30(34)31-22-28(27-12-5-6-13-29(27)35-3)33-18-14-25(15-19-33)32-16-7-4-8-17-32/h5-6,9-13,20,23,25,28H,4,7-8,14-19,21-22H2,1-3H3,(H,31,34).
What are the key properties of N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide?
N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide has a molecular weight of 493.69 g/mol, XLogP of 4.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-2-(3-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 70248448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).