[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone

C25H24N4O — CID 166114877

IUPAC[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
SMILESO=C(c1cncc2cc[nH]c12)N1CCC(N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N4O/c30-25(23-18-26-17-19-11-14-27-24(19)23)28-15-12-22(13-16-28)29(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17-18,22,27H,12-13,15-16H2
InChIKeyWKBPEMZSGLTHIO-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.01
Rot. Bonds4

About [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone

[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone (PubChem CID 166114877) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
PubChem CID166114877
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone
SMILESO=C(c1cncc2cc[nH]c12)N1CCC(N(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24N4O/c30-25(23-18-26-17-19-11-14-27-24(19)23)28-15-12-22(13-16-28)29(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17-18,22,27H,12-13,15-16H2
InChIKeyWKBPEMZSGLTHIO-UHFFFAOYSA-N
XLogP5.01
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
The IUPAC name of [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone (CID 166114877) is [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone.
What is the SMILES notation for [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
The canonical SMILES for [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone is O=C(c1cncc2cc[nH]c12)N1CCC(N(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
The InChIKey is WKBPEMZSGLTHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c30-25(23-18-26-17-19-11-14-27-24(19)23)28-15-12-22(13-16-28)29(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-11,14,17-18,22,27H,12-13,15-16H2.
What are the key properties of [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone?
[4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone has a molecular weight of 396.49 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-phenylanilino)piperidin-1-yl]-(1H-pyrrolo[3,2-c]pyridin-7-yl)methanone is sourced from PubChem (CID 166114877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).