(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

C24H23N3O2 — CID 72721233

IUPAC(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2c3ccccc3n(Cc3ccccc3)c2cn1)N1CCC(O)CC1
InChIInChI=1S/C24H23N3O2/c28-18-10-12-26(13-11-18)24(29)21-14-20-19-8-4-5-9-22(19)27(23(20)15-25-21)16-17-6-2-1-3-7-17/h1-9,14-15,18,28H,10-13,16H2
InChIKeyBJLSQKMKFSDOEX-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.83
Rot. Bonds3

About (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone

(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 72721233) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID72721233
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1cc2c3ccccc3n(Cc3ccccc3)c2cn1)N1CCC(O)CC1
InChIInChI=1S/C24H23N3O2/c28-18-10-12-26(13-11-18)24(29)21-14-20-19-8-4-5-9-22(19)27(23(20)15-25-21)16-17-6-2-1-3-7-17/h1-9,14-15,18,28H,10-13,16H2
InChIKeyBJLSQKMKFSDOEX-UHFFFAOYSA-N
XLogP3.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate
CID 11639750
(9-pentylpyrido[3,4-b]indol-3-yl)-piperidin-1-ylmethanone
CID 56651698
3-benzyl-4-(4-hydroxypiperidine-1-carbonyl)-1H-imidazol-2-one
CID 112531172
(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
9-[(4-fluorophenyl)methyl]-N-hydroxy-N-methylpyrido[3,4-b]indole-3-carboxamide
CID 3013467
9-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 46704091
9-benzyl-1-propylpyrido[3,4-b]indole-3-carboxylic acid
CID 11314575
benzyl 9-benzylpyrido[3,4-b]indole-3-carboxylate;bromomethylbenzene;9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 157302089
10-benzyl-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol
CID 44816929
methyl 9-[(3,5-dinitrophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 18412208
ethyl 9-[(3,4,5-trimethoxyphenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 122187130
(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 151823894

Frequently Asked Questions

What is the IUPAC name of (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 72721233) is (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is O=C(c1cc2c3ccccc3n(Cc3ccccc3)c2cn1)N1CCC(O)CC1.
What is the InChIKey of (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is BJLSQKMKFSDOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c28-18-10-12-26(13-11-18)24(29)21-14-20-19-8-4-5-9-22(19)27(23(20)15-25-21)16-17-6-2-1-3-7-17/h1-9,14-15,18,28H,10-13,16H2.
What are the key properties of (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 385.47 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 72721233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).