N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide

C25H26ClN3O3 — CID 90951589

IUPACN-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NC1COCCC1n1cc(Cl)c2ccccc21)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H26ClN3O3/c26-20-15-29(22-6-2-1-5-19(20)22)23-12-14-32-16-21(23)27-25(31)17-8-10-18(11-9-17)28-13-4-3-7-24(28)30/h1-2,5-6,8-11,15,21,23H,3-4,7,12-14,16H2,(H,27,31)
InChIKeyOCMOLSVBAOQEKV-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.57
Rot. Bonds4

About N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide

N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide (PubChem CID 90951589) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
PubChem CID90951589
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC NameN-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide
SMILESO=C(NC1COCCC1n1cc(Cl)c2ccccc21)c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C25H26ClN3O3/c26-20-15-29(22-6-2-1-5-19(20)22)23-12-14-32-16-21(23)27-25(31)17-8-10-18(11-9-17)28-13-4-3-7-24(28)30/h1-2,5-6,8-11,15,21,23H,3-4,7,12-14,16H2,(H,27,31)
InChIKeyOCMOLSVBAOQEKV-UHFFFAOYSA-N
XLogP4.57
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminooxan-4-yl)-4-(2-oxopiperidin-1-yl)benzamide
CID 69439191
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
CID 90891307
N-cyclopropyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18105948
3-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclopentyl]-1H-indole-6-carboxamide
CID 11641494
N-(2-carbamoylcyclopentyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18453013
3-chloro-N-[3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]piperidin-4-yl]-1H-indole-6-carboxamide
CID 11598427
N-[(3S,4R)-3-hydroxyoxan-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 91761594
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439081
3-chloro-N-[(1R,2S)-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 11202747
5-chloro-N-[2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]cyclohexyl]-1H-indole-2-carboxamide
CID 11488766
(3R,4S)-3-[(5-chlorothiophene-2-carbonyl)amino]-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 69439131
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The IUPAC name of N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide (CID 90951589) is N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The canonical SMILES for N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide is O=C(NC1COCCC1n1cc(Cl)c2ccccc21)c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
The InChIKey is OCMOLSVBAOQEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c26-20-15-29(22-6-2-1-5-19(20)22)23-12-14-32-16-21(23)27-25(31)17-8-10-18(11-9-17)28-13-4-3-7-24(28)30/h1-2,5-6,8-11,15,21,23H,3-4,7,12-14,16H2,(H,27,31).
What are the key properties of N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide?
N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide has a molecular weight of 451.95 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroindol-1-yl)oxan-3-yl]-4-(2-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 90951589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).