1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide

C23H28N4O3 — CID 59727853

IUPAC1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccnc(OC)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C23H28N4O3/c1-29-21-5-10-25-23(30-2)19(21)9-13-26-11-7-18(8-12-26)27-14-6-16-3-4-17(22(24)28)15-20(16)27/h3-6,10,14-15,18H,7-9,11-13H2,1-2H3,(H2,24,28)
InChIKeyFCRBJNFVCGGQPH-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.03
Rot. Bonds7

About 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide

1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide (PubChem CID 59727853) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
PubChem CID59727853
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide
SMILESCOc1ccnc(OC)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1
InChIInChI=1S/C23H28N4O3/c1-29-21-5-10-25-23(30-2)19(21)9-13-26-11-7-18(8-12-26)27-14-6-16-3-4-17(22(24)28)15-20(16)27/h3-6,10,14-15,18H,7-9,11-13H2,1-2H3,(H2,24,28)
InChIKeyFCRBJNFVCGGQPH-UHFFFAOYSA-N
XLogP3.03
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The IUPAC name of 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide (CID 59727853) is 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The canonical SMILES for 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide is COc1ccnc(OC)c1CCN1CCC(n2ccc3ccc(C(N)=O)cc32)CC1.
What is the InChIKey of 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
The InChIKey is FCRBJNFVCGGQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-21-5-10-25-23(30-2)19(21)9-13-26-11-7-18(8-12-26)27-14-6-16-3-4-17(22(24)28)15-20(16)27/h3-6,10,14-15,18H,7-9,11-13H2,1-2H3,(H2,24,28).
What are the key properties of 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide?
1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,4-dimethoxy-3-pyridinyl)ethyl]piperidin-4-yl]indole-6-carboxamide is sourced from PubChem (CID 59727853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).