N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

C25H31N5O2 — CID 53161284

IUPACN-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(N3CCOCC3)nc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31N5O2/c31-24(26-22-9-11-28(12-10-22)18-20-4-2-1-3-5-20)19-30-13-8-21-6-7-23(27-25(21)30)29-14-16-32-17-15-29/h1-8,13,22H,9-12,14-19H2,(H,26,31)
InChIKeyURRVRXZLXJOCQS-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.65
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (PubChem CID 53161284) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
PubChem CID53161284
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
SMILESO=C(Cn1ccc2ccc(N3CCOCC3)nc21)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H31N5O2/c31-24(26-22-9-11-28(12-10-22)18-20-4-2-1-3-5-20)19-30-13-8-21-6-7-23(27-25(21)30)29-14-16-32-17-15-29/h1-8,13,22H,9-12,14-19H2,(H,26,31)
InChIKeyURRVRXZLXJOCQS-UHFFFAOYSA-N
XLogP2.65
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 53161307
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CID 20904134
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-5-phenyl-1,3-oxazol-3-yl)acetamide
CID 53180365
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CID 117088638
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
4-N-(1-benzylpiperidin-4-yl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 117085878
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
N'-(1-benzylpiperidin-4-yl)butanediamide
CID 151114474
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-N'-[2-(4-phenylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 73388766
N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide (CID 53161284) is N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is O=C(Cn1ccc2ccc(N3CCOCC3)nc21)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
The InChIKey is URRVRXZLXJOCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-24(26-22-9-11-28(12-10-22)18-20-4-2-1-3-5-20)19-30-13-8-21-6-7-23(27-25(21)30)29-14-16-32-17-15-29/h1-8,13,22H,9-12,14-19H2,(H,26,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide has a molecular weight of 433.56 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(6-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 53161284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).