3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide

C19H26N4O4 — CID 166319640

IUPAC3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide
SMILESNC(=O)COc1cccc(C(=O)NC2CCCN(CC(=O)N3CCC3)C2)c1
InChIInChI=1S/C19H26N4O4/c20-17(24)13-27-16-6-1-4-14(10-16)19(26)21-15-5-2-7-22(11-15)12-18(25)23-8-3-9-23/h1,4,6,10,15H,2-3,5,7-9,11-13H2,(H2,20,24)(H,21,26)
InChIKeyMRSFIPGWSBLNQG-UHFFFAOYSA-N
MW374.44 g/mol
LogP-0.02
Rot. Bonds7

About 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide

3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide (PubChem CID 166319640) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide
PubChem CID166319640
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide
SMILESNC(=O)COc1cccc(C(=O)NC2CCCN(CC(=O)N3CCC3)C2)c1
InChIInChI=1S/C19H26N4O4/c20-17(24)13-27-16-6-1-4-14(10-16)19(26)21-15-5-2-7-22(11-15)12-18(25)23-8-3-9-23/h1,4,6,10,15H,2-3,5,7-9,11-13H2,(H2,20,24)(H,21,26)
InChIKeyMRSFIPGWSBLNQG-UHFFFAOYSA-N
XLogP-0.02
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(azepan-1-yl)-2-oxoethyl]piperidin-3-yl]-1-methylpyrazole-4-carboxamide
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3-(2-amino-2-oxoethoxy)benzoic acid
CID 961591
(3R)-3-[(3-fluorosulfonyloxybenzoyl)amino]piperidine-1-carboxylic acid
CID 174219414
3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]-N-methylbenzamide
CID 146084564
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126433211
3-[[1-(cyclohexanecarbonyl)piperidin-3-yl]methoxy]-N-cyclopropylbenzamide
CID 50846681
N-[(3S,7S,8aS)-3-(2-hydroxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-3-(2-amino-2-oxoethoxy)benzamide
CID 155498549
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
2-[3-[[[N-(1-benzylpiperidin-3-yl)-N'-methylcarbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide?
The IUPAC name of 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide (CID 166319640) is 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide.
What is the SMILES notation for 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide?
The canonical SMILES for 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide is NC(=O)COc1cccc(C(=O)NC2CCCN(CC(=O)N3CCC3)C2)c1.
What is the InChIKey of 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide?
The InChIKey is MRSFIPGWSBLNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c20-17(24)13-27-16-6-1-4-14(10-16)19(26)21-15-5-2-7-22(11-15)12-18(25)23-8-3-9-23/h1,4,6,10,15H,2-3,5,7-9,11-13H2,(H2,20,24)(H,21,26).
What are the key properties of 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide?
3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethoxy)-N-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-3-yl]benzamide is sourced from PubChem (CID 166319640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).