(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone

C21H23N3O — CID 53162861

IUPAC(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2cccnc21
InChIInChI=1S/C21H23N3O/c1-23-15-19(18-8-5-11-22-20(18)23)21(25)24-12-9-17(10-13-24)14-16-6-3-2-4-7-16/h2-8,11,15,17H,9-10,12-14H2,1H3
InChIKeyOFIUQWORFBDALF-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.67
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone

(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 53162861) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID53162861
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2cccnc21
InChIInChI=1S/C21H23N3O/c1-23-15-19(18-8-5-11-22-20(18)23)21(25)24-12-9-17(10-13-24)14-16-6-3-2-4-7-16/h2-8,11,15,17H,9-10,12-14H2,1H3
InChIKeyOFIUQWORFBDALF-UHFFFAOYSA-N
XLogP3.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
[2-(4-benzylpiperidin-1-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441062
(4-benzylpiperidin-1-yl)-[2-(trifluoromethylsulfonyl)-3-pyridinyl]methanone
CID 47087921
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
3-(4-benzylpiperidine-1-carbonyl)-1-[(2-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 43996144
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
(2-methoxyphenyl)-[4-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperazin-1-yl]methanone
CID 53145405
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
(3-amino-2-methylphenyl)-(4-benzylpiperidin-1-yl)methanone
CID 28723214
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone (CID 53162861) is (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone is Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2cccnc21.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is OFIUQWORFBDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-23-15-19(18-8-5-11-22-20(18)23)21(25)24-12-9-17(10-13-24)14-16-6-3-2-4-7-16/h2-8,11,15,17H,9-10,12-14H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone?
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 53162861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).