2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide

C20H31N3O3 — CID 28957064

IUPAC2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc(OCC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C20H31N3O3/c1-22-12-9-17(10-13-22)23-11-3-4-16(14-23)21-20(24)15-26-19-7-5-18(25-2)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyRQEIMJKZQBRNQS-INIZCTEOSA-N
MW361.49 g/mol
LogP1.75
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide

2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide (PubChem CID 28957064) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
PubChem CID28957064
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
SMILESCOc1ccc(OCC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C20H31N3O3/c1-22-12-9-17(10-13-22)23-11-3-4-16(14-23)21-20(24)15-26-19-7-5-18(25-2)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24)/t16-/m0/s1
InChIKeyRQEIMJKZQBRNQS-INIZCTEOSA-N
XLogP1.75
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
CID 42342863
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 45214844
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
4-(4-fluorophenyl)-N-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 29084805
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(2,5-dimethoxyphenyl)acetamide
CID 25295085
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45214329
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3-(1H-pyrazol-4-yl)propanamide
CID 45178828

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide (CID 28957064) is 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide is COc1ccc(OCC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is RQEIMJKZQBRNQS-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-22-12-9-17(10-13-22)23-11-3-4-16(14-23)21-20(24)15-26-19-7-5-18(25-2)6-8-19/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide?
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 361.49 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 28957064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).