2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide

C23H33ClN4O4S — CID 55489927

IUPAC2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C(C)C(=O)NC4CC4)CC3)ccc2Cl)C1
InChIInChI=1S/C23H33ClN4O4S/c1-16-4-3-9-28(15-16)33(31,32)21-14-18(5-8-20(21)24)23(30)27-12-10-26(11-13-27)17(2)22(29)25-19-6-7-19/h5,8,14,16-17,19H,3-4,6-7,9-13,15H2,1-2H3,(H,25,29)
InChIKeyQCSFMTUYNXMUEJ-UHFFFAOYSA-N
MW497.06 g/mol
LogP2.19
Rot. Bonds6

About 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide

2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide (PubChem CID 55489927) has the molecular formula C23H33ClN4O4S and a molecular weight of 497.06 g/mol. Its IUPAC name is 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide
PubChem CID55489927
Molecular FormulaC23H33ClN4O4S
Molecular Weight497.06 g/mol
Exact Mass496.19
IUPAC Name2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide
SMILESCC1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C(C)C(=O)NC4CC4)CC3)ccc2Cl)C1
InChIInChI=1S/C23H33ClN4O4S/c1-16-4-3-9-28(15-16)33(31,32)21-14-18(5-8-20(21)24)23(30)27-12-10-26(11-13-27)17(2)22(29)25-19-6-7-19/h5,8,14,16-17,19H,3-4,6-7,9-13,15H2,1-2H3,(H,25,29)
InChIKeyQCSFMTUYNXMUEJ-UHFFFAOYSA-N
XLogP2.19
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.06
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylphenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 78799951
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 46810950
4-chloro-N-(2-methylbutan-2-yl)-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40820715
(2R)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylpropanamide
CID 8711871
[2-[di(propan-2-yl)amino]-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 3582523
N-cyclopentyl-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]propanamide
CID 55574544
4-chloro-N-(cyclopentylmethyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 55612530
(2-oxo-2-propan-2-yloxyethyl) 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 24530164
4-chloro-N-methyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 26686490
N-cyclopropyl-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]propanamide
CID 42929785
[2-(tert-butylamino)-2-oxoethyl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate
CID 16504066
[2-(tert-butylamino)-2-oxoethyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate
CID 2609330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide (CID 55489927) is 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide is CC1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C(C)C(=O)NC4CC4)CC3)ccc2Cl)C1.
What is the InChIKey of 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
The InChIKey is QCSFMTUYNXMUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClN4O4S/c1-16-4-3-9-28(15-16)33(31,32)21-14-18(5-8-20(21)24)23(30)27-12-10-26(11-13-27)17(2)22(29)25-19-6-7-19/h5,8,14,16-17,19H,3-4,6-7,9-13,15H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide?
2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide has a molecular weight of 497.06 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoyl]piperazin-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 55489927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).