N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

C26H30ClN3O5 — CID 40964118

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)c(OC)cc1Cl
InChIInChI=1S/C26H30ClN3O5/c1-16-4-6-19(7-5-16)30-15-18(12-24(30)31)26(33)29-10-8-17(9-11-29)25(32)28-21-14-22(34-2)20(27)13-23(21)35-3/h4-7,13-14,17-18H,8-12,15H2,1-3H3,(H,28,32)/t18-/m0/s1
InChIKeyLSWHVVKGJGWACA-SFHVURJKSA-N
MW500.00 g/mol
LogP3.90
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 40964118) has the molecular formula C26H30ClN3O5 and a molecular weight of 500.00 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
PubChem CID40964118
Molecular FormulaC26H30ClN3O5
Molecular Weight500.00 g/mol
Exact Mass499.19
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)c(OC)cc1Cl
InChIInChI=1S/C26H30ClN3O5/c1-16-4-6-19(7-5-16)30-15-18(12-24(30)31)26(33)29-10-8-17(9-11-29)25(32)28-21-14-22(34-2)20(27)13-23(21)35-3/h4-7,13-14,17-18H,8-12,15H2,1-3H3,(H,28,32)/t18-/m0/s1
InChIKeyLSWHVVKGJGWACA-SFHVURJKSA-N
XLogP3.90
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497512
N-(2,4-dimethoxyphenyl)-1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964094
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 40964149
N-(2-methoxyphenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118625
N-(4-acetamidophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964122
N-(5-chloro-2-pyridinyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497514
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55883534
1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17081842
N-(4-chloro-3-nitrophenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 17081745
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
1-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,2,4-triazol-4-yl)piperidine-4-carboxamide
CID 9375058

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide (CID 40964118) is N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is COc1cc(NC(=O)C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is LSWHVVKGJGWACA-SFHVURJKSA-N. The full InChI is InChI=1S/C26H30ClN3O5/c1-16-4-6-19(7-5-16)30-15-18(12-24(30)31)26(33)29-10-8-17(9-11-29)25(32)28-21-14-22(34-2)20(27)13-23(21)35-3/h4-7,13-14,17-18H,8-12,15H2,1-3H3,(H,28,32)/t18-/m0/s1.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 40964118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).