N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide

C21H32N4O4S — CID 56516350

IUPACN,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C21H32N4O4S/c1-3-23(4-2)30(28,29)24-16-14-22(15-17-24)21(27)20(18-10-6-5-7-11-18)25-13-9-8-12-19(25)26/h5-7,10-11,20H,3-4,8-9,12-17H2,1-2H3
InChIKeyORUGZZIOYXWRSZ-UHFFFAOYSA-N
MW436.58 g/mol
LogP1.47
Rot. Bonds7

About N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide

N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide (PubChem CID 56516350) has the molecular formula C21H32N4O4S and a molecular weight of 436.58 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
PubChem CID56516350
Molecular FormulaC21H32N4O4S
Molecular Weight436.58 g/mol
Exact Mass436.21
IUPAC NameN,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1
InChIInChI=1S/C21H32N4O4S/c1-3-23(4-2)30(28,29)24-16-14-22(15-17-24)21(27)20(18-10-6-5-7-11-18)25-13-9-8-12-19(25)26/h5-7,10-11,20H,3-4,8-9,12-17H2,1-2H3
InChIKeyORUGZZIOYXWRSZ-UHFFFAOYSA-N
XLogP1.47
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514902
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56506103
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
1-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514828
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119623436
1-[2-oxo-1-phenyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethyl]piperidin-2-one
CID 56577826
methyl 1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]-4-phenylpiperidine-4-carboxylate
CID 56540269
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one;hydrochloride
CID 119663039

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide (CID 56516350) is N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)C(c2ccccc2)N2CCCCC2=O)CC1.
What is the InChIKey of N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide?
The InChIKey is ORUGZZIOYXWRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O4S/c1-3-23(4-2)30(28,29)24-16-14-22(15-17-24)21(27)20(18-10-6-5-7-11-18)25-13-9-8-12-19(25)26/h5-7,10-11,20H,3-4,8-9,12-17H2,1-2H3.
What are the key properties of N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide has a molecular weight of 436.58 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperazine-1-sulfonamide is sourced from PubChem (CID 56516350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).