[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone

C25H23ClN4O — CID 20801068

IUPAC[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2n1-c1ccc(Cl)cc1)N1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-19-5-7-22(8-6-19)30-23-4-2-1-3-18(23)17-24(30)25(31)29-15-11-21(12-16-29)28-20-9-13-27-14-10-20/h1-10,13-14,17,21H,11-12,15-16H2,(H,27,28)
InChIKeyMBCHAYXMMIDQEC-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.40
Rot. Bonds4

About [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone

[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone (PubChem CID 20801068) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
PubChem CID20801068
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone
SMILESO=C(c1cc2ccccc2n1-c1ccc(Cl)cc1)N1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-19-5-7-22(8-6-19)30-23-4-2-1-3-18(23)17-24(30)25(31)29-15-11-21(12-16-29)28-20-9-13-27-14-10-20/h1-10,13-14,17,21H,11-12,15-16H2,(H,27,28)
InChIKeyMBCHAYXMMIDQEC-UHFFFAOYSA-N
XLogP5.40
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone (CID 20801068) is [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone is O=C(c1cc2ccccc2n1-c1ccc(Cl)cc1)N1CCC(Nc2ccncc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
The InChIKey is MBCHAYXMMIDQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-19-5-7-22(8-6-19)30-23-4-2-1-3-18(23)17-24(30)25(31)29-15-11-21(12-16-29)28-20-9-13-27-14-10-20/h1-10,13-14,17,21H,11-12,15-16H2,(H,27,28).
What are the key properties of [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone?
[1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone has a molecular weight of 430.94 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)indol-2-yl]-[4-(pyridin-4-ylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 20801068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).