2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide

C18H27N3O3 — CID 17486362

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCC(CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-19-18(23)20-17(22)13-21-11-9-15(10-12-21)4-3-14-5-7-16(24-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H2,19,20,22,23)
InChIKeySFQDKHVUINNECJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.80
Rot. Bonds6

About 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide

2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide (PubChem CID 17486362) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide
PubChem CID17486362
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN1CCC(CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O3/c1-19-18(23)20-17(22)13-21-11-9-15(10-12-21)4-3-14-5-7-16(24-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H2,19,20,22,23)
InChIKeySFQDKHVUINNECJ-UHFFFAOYSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]acetamide
CID 33024172
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 154755930
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide;hydrochloride
CID 119922349
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]acetamide
CID 33347916
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-(4-hydroxyphenyl)acetamide
CID 18137192
2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 16597671
N-[2-(4-methoxyphenyl)ethyl]-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]acetamide
CID 60503369
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide (CID 17486362) is 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN1CCC(CCc2ccc(OC)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide?
The InChIKey is SFQDKHVUINNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-19-18(23)20-17(22)13-21-11-9-15(10-12-21)4-3-14-5-7-16(24-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide?
2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 17486362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).