methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride

C27H30Cl2N4O5S — CID 23447475

IUPACmethyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(CN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CCN(c2ccncc2)CC1.Cl
InChIInChI=1S/C27H29ClN4O5S.ClH/c1-37-26(34)27(8-12-30(13-9-27)23-6-10-29-11-7-23)19-31-14-15-32(18-25(31)33)38(35,36)24-5-3-20-16-22(28)4-2-21(20)17-24;/h2-7,10-11,16-17H,8-9,12-15,18-19H2,1H3;1H
InChIKeyZNSOHSWFBUTJRS-UHFFFAOYSA-N
MW593.53 g/mol
LogP3.60
Rot. Bonds6

About methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride

methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride (PubChem CID 23447475) has the molecular formula C27H30Cl2N4O5S and a molecular weight of 593.53 g/mol. Its IUPAC name is methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride
PubChem CID23447475
Molecular FormulaC27H30Cl2N4O5S
Molecular Weight593.53 g/mol
Exact Mass592.13
IUPAC Namemethyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(CN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CCN(c2ccncc2)CC1.Cl
InChIInChI=1S/C27H29ClN4O5S.ClH/c1-37-26(34)27(8-12-30(13-9-27)23-6-10-29-11-7-23)19-31-14-15-32(18-25(31)33)38(35,36)24-5-3-20-16-22(28)4-2-21(20)17-24;/h2-7,10-11,16-17H,8-9,12-15,18-19H2,1H3;1H
InChIKeyZNSOHSWFBUTJRS-UHFFFAOYSA-N
XLogP3.60
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-(hydroxymethyl)-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
CID 5289586
methyl 4-[[4-[(7-chloro-2H-chromen-3-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate
CID 23447569
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]-(4-pyridin-4-ylpiperazin-1-yl)amino]acetic acid
CID 22727182
ethyl 7-(6-chloronaphthalen-2-yl)sulfonyl-5-oxo-1'-pyridin-4-ylspiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-8a-carboxylate
CID 11753561
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[ethyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one
CID 22727119
4-(6-chloronaphthalen-2-yl)sulfonyl-6-(hydroxymethyl)-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazin-2-one
CID 10940382
4-(6-chloronaphthalen-2-yl)sulfonyl-6-methyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-2-one
CID 22727184
2-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]amino]acetate
CID 22727188
6-chloro-N-[2-oxo-2-(8-pyridin-4-yl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]naphthalene-2-sulfonamide
CID 11605719
ethyl 1-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-oxopiperazine-2-carbonyl]piperidine-4-carboxylate
CID 22727045
methyl 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]amino]-6-oxopiperazine-2-carboxylate;dihydrochloride
CID 139896395
4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]methylamino]piperazin-2-one
CID 22727130

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride (CID 23447475) is methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride is COC(=O)C1(CN2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)CCN(c2ccncc2)CC1.Cl.
What is the InChIKey of methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is ZNSOHSWFBUTJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN4O5S.ClH/c1-37-26(34)27(8-12-30(13-9-27)23-6-10-29-11-7-23)19-31-14-15-32(18-25(31)33)38(35,36)24-5-3-20-16-22(28)4-2-21(20)17-24;/h2-7,10-11,16-17H,8-9,12-15,18-19H2,1H3;1H.
What are the key properties of methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride?
methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 593.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-pyridin-4-ylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 23447475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).