2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

C23H29N3 — CID 134329288

IUPAC2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3
InChIKeySPDNWFVSOMYGJA-UHFFFAOYSA-N
MW347.51 g/mol
LogP5.44
Rot. Bonds3

About 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole

2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (PubChem CID 134329288) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
PubChem CID134329288
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
SMILESCc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)cn1
InChIInChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3
InChIKeySPDNWFVSOMYGJA-UHFFFAOYSA-N
XLogP5.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The IUPAC name of 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole (CID 134329288) is 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole.
What is the SMILES notation for 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The canonical SMILES for 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)cn1.
What is the InChIKey of 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
The InChIKey is SPDNWFVSOMYGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-14(2)22-20-12-18(17-7-9-24-10-8-17)5-6-21(20)26-23(22)19-11-16(4)25-13-15(19)3/h5-6,11-14,17,24,26H,7-10H2,1-4H3.
What are the key properties of 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole?
2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole has a molecular weight of 347.51 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole is sourced from PubChem (CID 134329288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).