N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide

C37H41N5O4 — CID 118465433

IUPACN-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
SMILESCc1noc(-c2ccc(Oc3cc(C(=O)NC4CCN(C5CCCC5)CC4)ccc3CN3C[C@H](c4ccccc4)CC3=O)cc2)n1
InChIInChI=1S/C37H41N5O4/c1-25-38-37(46-40-25)27-13-15-33(16-14-27)45-34-21-28(36(44)39-31-17-19-41(20-18-31)32-9-5-6-10-32)11-12-29(34)23-42-24-30(22-35(42)43)26-7-3-2-4-8-26/h2-4,7-8,11-16,21,30-32H,5-6,9-10,17-20,22-24H2,1H3,(H,39,44)/t30-/m1/s1
InChIKeyJBSJVOOISQQTQE-SSEXGKCCSA-N
MW619.77 g/mol
LogP6.49
Rot. Bonds9

About N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide

N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide (PubChem CID 118465433) has the molecular formula C37H41N5O4 and a molecular weight of 619.77 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
PubChem CID118465433
Molecular FormulaC37H41N5O4
Molecular Weight619.77 g/mol
Exact Mass619.32
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
SMILESCc1noc(-c2ccc(Oc3cc(C(=O)NC4CCN(C5CCCC5)CC4)ccc3CN3C[C@H](c4ccccc4)CC3=O)cc2)n1
InChIInChI=1S/C37H41N5O4/c1-25-38-37(46-40-25)27-13-15-33(16-14-27)45-34-21-28(36(44)39-31-17-19-41(20-18-31)32-9-5-6-10-32)11-12-29(34)23-42-24-30(22-35(42)43)26-7-3-2-4-8-26/h2-4,7-8,11-16,21,30-32H,5-6,9-10,17-20,22-24H2,1H3,(H,39,44)/t30-/m1/s1
InChIKeyJBSJVOOISQQTQE-SSEXGKCCSA-N
XLogP6.49
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.77
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(1-methylpyrrolidin-3-yl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 123598029
1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-4-phenylpyrrolidin-2-one
CID 123839232
3-[4-(oxan-4-ylcarbamoyl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide
CID 144948142
(4S)-1-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-(5-piperidin-4-yl-1,3,4-thiadiazol-2-yl)phenyl]methyl]-4-phenylpyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 118454502
3-[4-(6-methylpyridazin-3-yl)phenoxy]-4-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]benzoic acid
CID 118454450
4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]-N-[1-(oxan-4-yl)piperidin-4-yl]-3-quinolin-6-yloxybenzamide
CID 123683263
N-cyclohexyl-4-[[(4S)-4-methyl-2-oxopyrrolidin-1-yl]methyl]-3-[4-(6-methylpyridazin-3-yl)phenoxy]benzamide
CID 118465336
N-(1-cyclopentylpiperidin-4-yl)-4-[(4-methyl-2-oxoimidazolidin-1-yl)methyl]-3-[4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)phenoxy]benzamide
CID 118454709
2-methylpropanimidoyl 4-[5-[(1-cyclobutylpiperidin-4-yl)carbamoyl]-2-[(2-oxopyrrolidin-1-yl)methyl]phenoxy]benzenecarboximidothioate
CID 144948027
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenoxy]-4-[[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]methyl]benzamide
CID 118465275
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39581438
3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
CID 118465284

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide (CID 118465433) is N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide is Cc1noc(-c2ccc(Oc3cc(C(=O)NC4CCN(C5CCCC5)CC4)ccc3CN3C[C@H](c4ccccc4)CC3=O)cc2)n1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide?
The InChIKey is JBSJVOOISQQTQE-SSEXGKCCSA-N. The full InChI is InChI=1S/C37H41N5O4/c1-25-38-37(46-40-25)27-13-15-33(16-14-27)45-34-21-28(36(44)39-31-17-19-41(20-18-31)32-9-5-6-10-32)11-12-29(34)23-42-24-30(22-35(42)43)26-7-3-2-4-8-26/h2-4,7-8,11-16,21,30-32H,5-6,9-10,17-20,22-24H2,1H3,(H,39,44)/t30-/m1/s1.
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide?
N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide has a molecular weight of 619.77 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-4-[[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 118465433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).