(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one

C22H27N3O2 — CID 26318760

IUPAC(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
SMILESO=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C22H27N3O2/c26-21-10-9-15(13-25(21)16-5-1-2-6-16)22(27)24-12-11-20-18(14-24)17-7-3-4-8-19(17)23-20/h3-4,7-8,15-16,23H,1-2,5-6,9-14H2/t15-/m0/s1
InChIKeyOUOJKQUWBMGPFW-HNNXBMFYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds2

About (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one

(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one (PubChem CID 26318760) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
PubChem CID26318760
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
SMILESO=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C22H27N3O2/c26-21-10-9-15(13-25(21)16-5-1-2-6-16)22(27)24-12-11-20-18(14-24)17-7-3-4-8-19(17)23-20/h3-4,7-8,15-16,23H,1-2,5-6,9-14H2/t15-/m0/s1
InChIKeyOUOJKQUWBMGPFW-HNNXBMFYSA-N
XLogP3.23
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 42886803
4-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-cyclopropylpyrrolidin-2-one
CID 70720374
(4S)-4-(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-1-cyclopropylpyrrolidin-2-one
CID 94664365
[(2S)-1-methylsulfonylpiperidin-2-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 51649026
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
2,2-dimethyl-1-[2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 55572930
[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 7094073
1-(3-methoxyphenyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 42946859
1-(pyridin-2-ylmethyl)-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 72936405
3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-3,4-dihydroisochromen-1-one
CID 42934976
(4R,5R)-1-methyl-5-phenyl-4-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-2-one
CID 96544197
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966

Frequently Asked Questions

What is the IUPAC name of (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one?
The IUPAC name of (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one (CID 26318760) is (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one?
The canonical SMILES for (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one is O=C([C@H]1CCC(=O)N(C2CCCC2)C1)N1CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one?
The InChIKey is OUOJKQUWBMGPFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-10-9-15(13-25(21)16-5-1-2-6-16)22(27)24-12-11-20-18(14-24)17-7-3-4-8-19(17)23-20/h3-4,7-8,15-16,23H,1-2,5-6,9-14H2/t15-/m0/s1.
What are the key properties of (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one?
(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 26318760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).