N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide

C26H32N4O — CID 164625128

IUPACN-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCCCC4)cc3)ccc2[nH]1
InChIInChI=1S/C26H32N4O/c31-26(28-18-19-10-12-27-13-11-19)25-17-22-16-21(6-9-24(22)29-25)20-4-7-23(8-5-20)30-14-2-1-3-15-30/h4-9,16-17,19,27,29H,1-3,10-15,18H2,(H,28,31)
InChIKeyCXVWDWJJGUOPAU-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.55
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide

N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 164625128) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
PubChem CID164625128
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCCCC4)cc3)ccc2[nH]1
InChIInChI=1S/C26H32N4O/c31-26(28-18-19-10-12-27-13-11-19)25-17-22-16-21(6-9-24(22)29-25)20-4-7-23(8-5-20)30-14-2-1-3-15-30/h4-9,16-17,19,27,29H,1-3,10-15,18H2,(H,28,31)
InChIKeyCXVWDWJJGUOPAU-UHFFFAOYSA-N
XLogP4.55
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide (CID 164625128) is N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide is O=C(NCC1CCNCC1)c1cc2cc(-c3ccc(N4CCCCC4)cc3)ccc2[nH]1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is CXVWDWJJGUOPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c31-26(28-18-19-10-12-27-13-11-19)25-17-22-16-21(6-9-24(22)29-25)20-4-7-23(8-5-20)30-14-2-1-3-15-30/h4-9,16-17,19,27,29H,1-3,10-15,18H2,(H,28,31).
What are the key properties of N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-5-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 164625128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).