2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C22H21ClN4O3 — CID 97416743

IUPAC2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C22H21ClN4O3/c23-17-3-5-18(6-4-17)27-14-16(12-20(27)28)22(29)26-10-7-19(8-11-26)30-21-15(13-24)2-1-9-25-21/h1-6,9,16,19H,7-8,10-12,14H2/t16-/m1/s1
InChIKeyRABJXXZUHWHKPV-MRXNPFEDSA-N
MW424.89 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 97416743) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID97416743
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C22H21ClN4O3/c23-17-3-5-18(6-4-17)27-14-16(12-20(27)28)22(29)26-10-7-19(8-11-26)30-21-15(13-24)2-1-9-25-21/h1-6,9,16,19H,7-8,10-12,14H2/t16-/m1/s1
InChIKeyRABJXXZUHWHKPV-MRXNPFEDSA-N
XLogP3.03
TPSA86.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile with MolForge

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Related Compounds

3-[1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636596
1-(4-methoxyphenyl)-4-(4-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 90558754
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497629
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
1-(4-chlorophenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119563793
(4S)-1-(4-chlorophenyl)-4-(4-methylpiperazin-4-ium-1-carbonyl)pyrrolidin-2-one
CID 7337159
4-[3-[(3-bromo-2-pyridinyl)oxy]azetidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 122249987
1-(4-methoxyphenyl)-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90566419
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799027
1-(4-chlorophenyl)-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082169
N-(5-chloro-2-pyridinyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497514

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 97416743) is 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is RABJXXZUHWHKPV-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-17-3-5-18(6-4-17)27-14-16(12-20(27)28)22(29)26-10-7-19(8-11-26)30-21-15(13-24)2-1-9-25-21/h1-6,9,16,19H,7-8,10-12,14H2/t16-/m1/s1.
What are the key properties of 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 424.89 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 97416743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).