N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide

C17H32N4O4S — CID 136578480

IUPACN,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)CC)C2)CC1
InChIInChI=1S/C17H32N4O4S/c1-4-18(5-2)17(23)20-12-10-19(11-13-20)16(22)15-8-7-9-21(14-15)26(24,25)6-3/h15H,4-14H2,1-3H3
InChIKeyOJRKOEJZPLNOPX-UHFFFAOYSA-N
MW388.53 g/mol
LogP0.65
Rot. Bonds5

About N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide

N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide (PubChem CID 136578480) has the molecular formula C17H32N4O4S and a molecular weight of 388.53 g/mol. Its IUPAC name is N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
PubChem CID136578480
Molecular FormulaC17H32N4O4S
Molecular Weight388.53 g/mol
Exact Mass388.21
IUPAC NameN,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)CC)C2)CC1
InChIInChI=1S/C17H32N4O4S/c1-4-18(5-2)17(23)20-12-10-19(11-13-20)16(22)15-8-7-9-21(14-15)26(24,25)6-3/h15H,4-14H2,1-3H3
InChIKeyOJRKOEJZPLNOPX-UHFFFAOYSA-N
XLogP0.65
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]methanone
CID 55682841
(1-ethylsulfonylpiperidin-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490378
azepan-1-yl-(1-methylsulfonylpiperidin-3-yl)methanone
CID 45153724
morpholin-4-yl-[1-(1-propylsulfonylpiperidine-3-carbonyl)piperidin-4-yl]methanone
CID 55683506
(3S)-1-(dimethylsulfamoyl)-N,N-diethylpiperidine-3-carboxamide
CID 92685694
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(1-propylsulfonylpiperidin-3-yl)methanone
CID 55685244
[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 126819210
1-(1-ethylsulfonylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 119137754
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
N,N-diethyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxamide
CID 34217987
N,N-diethyl-2-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55447148
ethyl 4-[(3S)-1-(3-phenylpropylsulfonyl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 99948995

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide (CID 136578480) is N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)CC)C2)CC1.
What is the InChIKey of N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide?
The InChIKey is OJRKOEJZPLNOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4S/c1-4-18(5-2)17(23)20-12-10-19(11-13-20)16(22)15-8-7-9-21(14-15)26(24,25)6-3/h15H,4-14H2,1-3H3.
What are the key properties of N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide?
N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(1-ethylsulfonylpiperidine-3-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 136578480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).