4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide

C15H21N3O4 — CID 119425018

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCCNC2)ccc1OCC(N)=O
InChIInChI=1S/C15H21N3O4/c1-21-13-7-10(4-5-12(13)22-9-14(16)19)15(20)18-11-3-2-6-17-8-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyVBESMSDSPBLQPS-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.04
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide (PubChem CID 119425018) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
PubChem CID119425018
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide
SMILESCOc1cc(C(=O)NC2CCCNC2)ccc1OCC(N)=O
InChIInChI=1S/C15H21N3O4/c1-21-13-7-10(4-5-12(13)22-9-14(16)19)15(20)18-11-3-2-6-17-8-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,16,19)(H,18,20)
InChIKeyVBESMSDSPBLQPS-UHFFFAOYSA-N
XLogP0.04
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-piperidin-3-ylbenzamide
CID 119425199
4-cyclopentyloxy-3-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426527
4-methoxy-3-nitro-N-[(3S)-piperidin-3-yl]benzamide
CID 103866718
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
3,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326349
3-(cyclopentylsulfamoyl)-4-methoxy-N-pyrrolidin-3-ylbenzamide
CID 119450739
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide (CID 119425018) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide is COc1cc(C(=O)NC2CCCNC2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide?
The InChIKey is VBESMSDSPBLQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-13-7-10(4-5-12(13)22-9-14(16)19)15(20)18-11-3-2-6-17-8-11/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119425018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).