2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide

C18H34N4O4S — CID 56526172

IUPAC2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1CCS(=O)(=O)CCN1CCCCC1CC(N)=O
InChIInChI=1S/C18H34N4O4S/c19-17(23)13-15-5-1-3-7-21(15)9-11-27(25,26)12-10-22-8-4-2-6-16(22)14-18(20)24/h15-16H,1-14H2,(H2,19,23)(H2,20,24)
InChIKeyBNTGSBUAYPTKDR-UHFFFAOYSA-N
MW402.56 g/mol
LogP-0.14
Rot. Bonds10

About 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide

2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide (PubChem CID 56526172) has the molecular formula C18H34N4O4S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide
PubChem CID56526172
Molecular FormulaC18H34N4O4S
Molecular Weight402.56 g/mol
Exact Mass402.23
IUPAC Name2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide
SMILESNC(=O)CC1CCCCN1CCS(=O)(=O)CCN1CCCCC1CC(N)=O
InChIInChI=1S/C18H34N4O4S/c19-17(23)13-15-5-1-3-7-21(15)9-11-27(25,26)12-10-22-8-4-2-6-16(22)14-18(20)24/h15-16H,1-14H2,(H2,19,23)(H2,20,24)
InChIKeyBNTGSBUAYPTKDR-UHFFFAOYSA-N
XLogP-0.14
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(bromomethyl)-1-(2-ethylsulfonylethyl)piperidine
CID 106731157
3-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethylsulfonyl]propanamide
CID 32746263
[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 103857735
2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684574
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62737703
2-[1-[3-(2-chlorophenyl)sulfanylpropyl]piperidin-2-yl]acetamide
CID 56509890
2-(1-methylpyrrolidin-2-yl)acetamide;hydrochloride
CID 67492380
2-(1-cyclooctylpyrrolidin-2-yl)acetamide;methane
CID 173136750
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
CID 142779495
1-[1-(2-fluoroethyl)piperidin-2-yl]propan-2-one
CID 80695193
3-[2-(2-amino-2-oxoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 75369485
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide (CID 56526172) is 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide is NC(=O)CC1CCCCN1CCS(=O)(=O)CCN1CCCCC1CC(N)=O.
What is the InChIKey of 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide?
The InChIKey is BNTGSBUAYPTKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O4S/c19-17(23)13-15-5-1-3-7-21(15)9-11-27(25,26)12-10-22-8-4-2-6-16(22)14-18(20)24/h15-16H,1-14H2,(H2,19,23)(H2,20,24).
What are the key properties of 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide?
2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide has a molecular weight of 402.56 g/mol, XLogP of -0.14, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-[2-(2-amino-2-oxoethyl)piperidin-1-yl]ethylsulfonyl]ethyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 56526172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).