4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine

C19H31ClN4O4S — CID 67740662

IUPAC4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine
SMILESCOc1cc(N)c(Cl)cc1CC(=O)CC1CCN(CCNS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C19H31ClN4O4S/c1-23(2)29(26,27)22-6-9-24-7-4-14(5-8-24)10-16(25)11-15-12-17(20)18(21)13-19(15)28-3/h12-14,22H,4-11,21H2,1-3H3
InChIKeySLBDQKCVSDPBJR-UHFFFAOYSA-N
MW447.00 g/mol
LogP1.54
Rot. Bonds10

About 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine

4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine (PubChem CID 67740662) has the molecular formula C19H31ClN4O4S and a molecular weight of 447.00 g/mol. Its IUPAC name is 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine.

Molecular Properties

Compound Name4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine
PubChem CID67740662
Molecular FormulaC19H31ClN4O4S
Molecular Weight447.00 g/mol
Exact Mass446.18
IUPAC Name4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine
SMILESCOc1cc(N)c(Cl)cc1CC(=O)CC1CCN(CCNS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C19H31ClN4O4S/c1-23(2)29(26,27)22-6-9-24-7-4-14(5-8-24)10-16(25)11-15-12-17(20)18(21)13-19(15)28-3/h12-14,22H,4-11,21H2,1-3H3
InChIKeySLBDQKCVSDPBJR-UHFFFAOYSA-N
XLogP1.54
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.00
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]propan-2-one
CID 67740846
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-methylpiperidin-4-yl)propan-2-one
CID 67740825
1-(4-amino-5-chloro-2-methoxyphenyl)-3-[1-(2-amino-2-methylsulfonylethyl)piperidin-4-yl]propan-2-one
CID 57001896
4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine;hydrochloride
CID 23202535
1-(4-amino-5-chloro-2-methoxyphenyl)-5-(4-methoxypiperidin-1-yl)pentan-2-one
CID 67741085
4-amino-5-chloro-N-[1-[[1-[3-(dimethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786710
4-amino-5-chloro-N-[1-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperidin-4-yl]-2-methoxybenzamide
CID 139786696
N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 162652332
2-[4-[(2-cyclohexylacetyl)amino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625406
2-[4-[(2-methylpropanoylamino)methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625575
CID 59280146
CID 59280146
N-[3-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]propyl]-4-methoxybenzenesulfonamide
CID 162649188

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine?
The IUPAC name of 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine (CID 67740662) is 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine.
What is the SMILES notation for 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine?
The canonical SMILES for 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine is COc1cc(N)c(Cl)cc1CC(=O)CC1CCN(CCNS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine?
The InChIKey is SLBDQKCVSDPBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClN4O4S/c1-23(2)29(26,27)22-6-9-24-7-4-14(5-8-24)10-16(25)11-15-12-17(20)18(21)13-19(15)28-3/h12-14,22H,4-11,21H2,1-3H3.
What are the key properties of 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine?
4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine has a molecular weight of 447.00 g/mol, XLogP of 1.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-amino-5-chloro-2-methoxyphenyl)-2-oxopropyl]-1-[2-(dimethylsulfamoylamino)ethyl]piperidine is sourced from PubChem (CID 67740662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).