[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate

C18H27N3O3 — CID 171843638

IUPAC[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate
SMILESCNc1ccc(COC(C)=O)c(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-14(22)24-13-15-6-7-16(19-2)12-17(15)18(23)20-8-11-21-9-4-3-5-10-21/h6-7,12,19H,3-5,8-11,13H2,1-2H3,(H,20,23)
InChIKeyOXSGNIHJHHVOSJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.01
Rot. Bonds7

About [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate

[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate (PubChem CID 171843638) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate.

Molecular Properties

Compound Name[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate
PubChem CID171843638
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate
SMILESCNc1ccc(COC(C)=O)c(C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C18H27N3O3/c1-14(22)24-13-15-6-7-16(19-2)12-17(15)18(23)20-8-11-21-9-4-3-5-10-21/h6-7,12,19H,3-5,8-11,13H2,1-2H3,(H,20,23)
InChIKeyOXSGNIHJHHVOSJ-UHFFFAOYSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methylamino)-2-(2-morpholin-4-ylethylcarbamoyl)phenyl]methyl acetate
CID 171843524
[4-(methylamino)-2-(prop-2-ynylcarbamoyl)phenyl]methyl acetate
CID 171843732
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-amino-N-[2-(azepan-1-yl)ethyl]-5-methoxybenzamide
CID 61241340
2-(2-oxopropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 123586173
2-methoxy-1-N-(2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 68809387
5-hydrazinyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62640963
1,2,5-trimethyl-N-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 125144865
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
2-amino-4-bromo-N-(2-piperidin-1-ylethyl)benzamide
CID 79723555
N-(2-piperidin-1-ylethyl)-2-propanoylbenzamide
CID 170276492

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate?
The IUPAC name of [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate (CID 171843638) is [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate.
What is the SMILES notation for [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate?
The canonical SMILES for [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate is CNc1ccc(COC(C)=O)c(C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate?
The InChIKey is OXSGNIHJHHVOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14(22)24-13-15-6-7-16(19-2)12-17(15)18(23)20-8-11-21-9-4-3-5-10-21/h6-7,12,19H,3-5,8-11,13H2,1-2H3,(H,20,23).
What are the key properties of [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate?
[4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate has a molecular weight of 333.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]methyl acetate is sourced from PubChem (CID 171843638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).