4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one

C22H25N3O — CID 60571114

IUPAC4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H25N3O/c26-21(10-4-8-17-6-2-1-3-7-17)25-14-11-18(12-15-25)20-16-24-22-19(20)9-5-13-23-22/h1-3,5-7,9,13,16,18H,4,8,10-12,14-15H2,(H,23,24)
InChIKeyYSJQKVJGCOYVSO-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.29
Rot. Bonds5

About 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one

4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one (PubChem CID 60571114) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
PubChem CID60571114
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
SMILESO=C(CCCc1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H25N3O/c26-21(10-4-8-17-6-2-1-3-7-17)25-14-11-18(12-15-25)20-16-24-22-19(20)9-5-13-23-22/h1-3,5-7,9,13,16,18H,4,8,10-12,14-15H2,(H,23,24)
InChIKeyYSJQKVJGCOYVSO-UHFFFAOYSA-N
XLogP4.29
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
N-(2-benzylphenyl)-2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]acetamide
CID 154863806
1-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 158241828
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
3,5-dimethyl-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 55836947
[4-(methylsulfanylmethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 87010084
5-methyl-5-naphthalen-2-yl-3-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 154833101
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552955
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one (CID 60571114) is 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one is O=C(CCCc1ccccc1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
The InChIKey is YSJQKVJGCOYVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-21(10-4-8-17-6-2-1-3-7-17)25-14-11-18(12-15-25)20-16-24-22-19(20)9-5-13-23-22/h1-3,5-7,9,13,16,18H,4,8,10-12,14-15H2,(H,23,24).
What are the key properties of 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one?
4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one has a molecular weight of 347.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 60571114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).