1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone

C14H21N3O2 — CID 119373605

IUPAC1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCC(N)CC1
InChIInChI=1S/C14H21N3O2/c1-19-13-5-3-2-4-12(13)16-10-14(18)17-8-6-11(15)7-9-17/h2-5,11,16H,6-10,15H2,1H3
InChIKeyNSHWYKVDIQTETP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone

1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone (PubChem CID 119373605) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
PubChem CID119373605
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCC(N)CC1
InChIInChI=1S/C14H21N3O2/c1-19-13-5-3-2-4-12(13)16-10-14(18)17-8-6-11(15)7-9-17/h2-5,11,16H,6-10,15H2,1H3
InChIKeyNSHWYKVDIQTETP-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
1-(4-aminopiperidin-1-yl)-2-(2-nitroanilino)ethanone
CID 119375489
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
1-[2-(2-methoxyanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356018
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone;dihydrochloride
CID 119466852
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone (CID 119373605) is 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone is COc1ccccc1NCC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone?
The InChIKey is NSHWYKVDIQTETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-13-5-3-2-4-12(13)16-10-14(18)17-8-6-11(15)7-9-17/h2-5,11,16H,6-10,15H2,1H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone?
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone has a molecular weight of 263.34 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone is sourced from PubChem (CID 119373605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).