1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione

C41H51ClN4O7 — CID 167553265

IUPAC1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione
SMILESCCCn1cc(-c2cc(OC)c(CCN3CCC(OC4CCN(C(=O)c5ccc(Cl)c(N6CCC(=O)CC6=O)c5)CC4)CC3)c(OC)c2)cc(C)c1=O
InChIInChI=1S/C41H51ClN4O7/c1-5-14-45-26-30(21-27(2)40(45)49)29-23-37(51-3)34(38(24-29)52-4)13-17-43-15-9-32(10-16-43)53-33-11-18-44(19-12-33)41(50)28-6-7-35(42)36(22-28)46-20-8-31(47)25-39(46)48/h6-7,21-24,26,32-33H,5,8-20,25H2,1-4H3
InChIKeyCRKLFJHTFJHMET-UHFFFAOYSA-N
MW747.33 g/mol
LogP5.93
Rot. Bonds12

About 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione

1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione (PubChem CID 167553265) has the molecular formula C41H51ClN4O7 and a molecular weight of 747.33 g/mol. Its IUPAC name is 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione
PubChem CID167553265
Molecular FormulaC41H51ClN4O7
Molecular Weight747.33 g/mol
Exact Mass746.34
IUPAC Name1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione
SMILESCCCn1cc(-c2cc(OC)c(CCN3CCC(OC4CCN(C(=O)c5ccc(Cl)c(N6CCC(=O)CC6=O)c5)CC4)CC3)c(OC)c2)cc(C)c1=O
InChIInChI=1S/C41H51ClN4O7/c1-5-14-45-26-30(21-27(2)40(45)49)29-23-37(51-3)34(38(24-29)52-4)13-17-43-15-9-32(10-16-43)53-33-11-18-44(19-12-33)41(50)28-6-7-35(42)36(22-28)46-20-8-31(47)25-39(46)48/h6-7,21-24,26,32-33H,5,8-20,25H2,1-4H3
InChIKeyCRKLFJHTFJHMET-UHFFFAOYSA-N
XLogP5.93
TPSA110.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.33
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione with MolForge

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Related Compounds

tert-butyl 4-[1-[3-(2,4-dioxopiperidin-1-yl)-4-methylbenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 167541020
3-[4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidin-1-yl]propanoic acid
CID 171800036
1-[2-methoxy-5-[4-[1-(3-methylbutyl)piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 156707443
1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41307910
4-[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methoxybenzoyl]piperidin-4-yl]oxypiperidine-1-carboxylic acid
CID 139534480
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 21275342
(3-amino-4-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 16789157
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 80550753
ethyl (3R)-1-[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-3-carboxylate
CID 29206229
(3-amino-4-chlorophenyl)-(4-ethylpiperidin-1-yl)methanone
CID 54905693

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione?
The IUPAC name of 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione (CID 167553265) is 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione?
The canonical SMILES for 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione is CCCn1cc(-c2cc(OC)c(CCN3CCC(OC4CCN(C(=O)c5ccc(Cl)c(N6CCC(=O)CC6=O)c5)CC4)CC3)c(OC)c2)cc(C)c1=O.
What is the InChIKey of 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione?
The InChIKey is CRKLFJHTFJHMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H51ClN4O7/c1-5-14-45-26-30(21-27(2)40(45)49)29-23-37(51-3)34(38(24-29)52-4)13-17-43-15-9-32(10-16-43)53-33-11-18-44(19-12-33)41(50)28-6-7-35(42)36(22-28)46-20-8-31(47)25-39(46)48/h6-7,21-24,26,32-33H,5,8-20,25H2,1-4H3.
What are the key properties of 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione?
1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione has a molecular weight of 747.33 g/mol, XLogP of 5.93, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[4-[1-[2-[2,6-dimethoxy-4-(5-methyl-6-oxo-1-propyl-3-pyridinyl)phenyl]ethyl]piperidin-4-yl]oxypiperidine-1-carbonyl]phenyl]piperidine-2,4-dione is sourced from PubChem (CID 167553265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).