(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone

C22H34N4O3S — CID 134016872

IUPAC(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
SMILESCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)CC1
InChIInChI=1S/C22H34N4O3S/c1-2-23-14-16-25(17-15-23)22(27)20-18-19(8-9-21(20)24-10-6-7-11-24)30(28,29)26-12-4-3-5-13-26/h8-9,18H,2-7,10-17H2,1H3
InChIKeyRGTMCZUSAZMJDX-UHFFFAOYSA-N
MW434.61 g/mol
LogP2.24
Rot. Bonds5

About (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone

(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone (PubChem CID 134016872) has the molecular formula C22H34N4O3S and a molecular weight of 434.61 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
PubChem CID134016872
Molecular FormulaC22H34N4O3S
Molecular Weight434.61 g/mol
Exact Mass434.24
IUPAC Name(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone
SMILESCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)CC1
InChIInChI=1S/C22H34N4O3S/c1-2-23-14-16-25(17-15-23)22(27)20-18-19(8-9-21(20)24-10-6-7-11-24)30(28,29)26-12-4-3-5-13-26/h8-9,18H,2-7,10-17H2,1H3
InChIKeyRGTMCZUSAZMJDX-UHFFFAOYSA-N
XLogP2.24
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.61
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 55336704
[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 28591390
N,N-dimethyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]-4-piperidin-1-ylbenzenesulfonamide
CID 39969807
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-piperidin-1-ylmethanone
CID 1069862
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(5-ethylsulfonyl-2-piperidin-1-ylphenyl)methanone
CID 11649168
N-[2-(4-ethylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]cyclohexanecarboxamide
CID 17422008
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 24979952
3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55901778
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-chloro-5-piperidin-1-ylsulfonylphenyl)methanone
CID 26877578
N-[2-(methylamino)ethyl]-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 119503414

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone (CID 134016872) is (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone is CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is RGTMCZUSAZMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S/c1-2-23-14-16-25(17-15-23)22(27)20-18-19(8-9-21(20)24-10-6-7-11-24)30(28,29)26-12-4-3-5-13-26/h8-9,18H,2-7,10-17H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone?
(4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 434.61 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 134016872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).