N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide

C25H31N3O4 — CID 22068359

IUPACN-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCOc1ccc2c(CCC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)noc2c1OC
InChIInChI=1S/C25H31N3O4/c1-17(29)26-20-7-4-19(5-8-20)16-28-14-12-18(13-15-28)6-10-22-21-9-11-23(30-2)25(31-3)24(21)32-27-22/h4-5,7-9,11,18H,6,10,12-16H2,1-3H3,(H,26,29)
InChIKeyBABPLCQWOCESBI-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.65
Rot. Bonds8

About N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 22068359) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID22068359
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCOc1ccc2c(CCC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)noc2c1OC
InChIInChI=1S/C25H31N3O4/c1-17(29)26-20-7-4-19(5-8-20)16-28-14-12-18(13-15-28)6-10-22-21-9-11-23(30-2)25(31-3)24(21)32-27-22/h4-5,7-9,11,18H,6,10,12-16H2,1-3H3,(H,26,29)
InChIKeyBABPLCQWOCESBI-UHFFFAOYSA-N
XLogP4.65
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]-N-(4-fluorophenyl)acetamide;N-methylmethanamine;dihydrochloride
CID 68925769
[1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]cyclopropyl]methanol
CID 68922564
5-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 68917414
3-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-1,2-benzoxazol-6-amine
CID 22068181
4-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile;N-methylmethanamine
CID 68920196
6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole
CID 58018593
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
6-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]pyridine-3-carbonitrile;but-2-enedioic acid;N-methylmethanamine
CID 68923625
3-[2-(1-benzylpiperidin-4-yl)ethyl]-N-[(4-fluorophenyl)methyl]-7-methyl-1,2-benzoxazole-6-carboxamide;N-methylmethanamine;dihydrochloride
CID 68922943
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2-phenylethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68923205
[6-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamic acid;N-methylmethanamine
CID 68923120

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide (CID 22068359) is N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide is COc1ccc2c(CCC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)noc2c1OC.
What is the InChIKey of N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is BABPLCQWOCESBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-17(29)26-20-7-4-19(5-8-20)16-28-14-12-18(13-15-28)6-10-22-21-9-11-23(30-2)25(31-3)24(21)32-27-22/h4-5,7-9,11,18H,6,10,12-16H2,1-3H3,(H,26,29).
What are the key properties of N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[2-(6,7-dimethoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 22068359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).