1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide

C28H36N4O3 — CID 161488966

IUPAC1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide
SMILESCOc1ccc(-c2cccc3c2cc(C(N)=O)n3C2CCN(CCN3CCC(O)CC3)CC2)cc1
InChIInChI=1S/C28H36N4O3/c1-35-23-7-5-20(6-8-23)24-3-2-4-26-25(24)19-27(28(29)34)32(26)21-9-13-30(14-10-21)17-18-31-15-11-22(33)12-16-31/h2-8,19,21-22,33H,9-18H2,1H3,(H2,29,34)
InChIKeyWFIUYPNPEKFZAU-UHFFFAOYSA-N
MW476.62 g/mol
LogP3.51
Rot. Bonds7

About 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide

1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide (PubChem CID 161488966) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide
PubChem CID161488966
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide
SMILESCOc1ccc(-c2cccc3c2cc(C(N)=O)n3C2CCN(CCN3CCC(O)CC3)CC2)cc1
InChIInChI=1S/C28H36N4O3/c1-35-23-7-5-20(6-8-23)24-3-2-4-26-25(24)19-27(28(29)34)32(26)21-9-13-30(14-10-21)17-18-31-15-11-22(33)12-16-31/h2-8,19,21-22,33H,9-18H2,1H3,(H2,29,34)
InChIKeyWFIUYPNPEKFZAU-UHFFFAOYSA-N
XLogP3.51
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(cyclopentylmethoxy)-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 159783713
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]indole-2-carboxamide
CID 160967700
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid;N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 158308065
4-[(4-chloro-1-benzofuran-3-yl)methoxy]-1-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]indole-2-carboxamide
CID 158156238
1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
2-(4-hydroxypiperidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 51171901
1-[1-[2-[2-methoxy-6-(2-methoxyphenyl)phenyl]ethyl]piperidin-4-yl]indole-6-carboxamide
CID 59727851
4-(4-methoxyphenyl)-1-(piperazin-1-ylmethyl)indole
CID 67661726
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
CID 140529272
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide?
The IUPAC name of 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide (CID 161488966) is 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide.
What is the SMILES notation for 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide?
The canonical SMILES for 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide is COc1ccc(-c2cccc3c2cc(C(N)=O)n3C2CCN(CCN3CCC(O)CC3)CC2)cc1.
What is the InChIKey of 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide?
The InChIKey is WFIUYPNPEKFZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3/c1-35-23-7-5-20(6-8-23)24-3-2-4-26-25(24)19-27(28(29)34)32(26)21-9-13-30(14-10-21)17-18-31-15-11-22(33)12-16-31/h2-8,19,21-22,33H,9-18H2,1H3,(H2,29,34).
What are the key properties of 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide?
1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide has a molecular weight of 476.62 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)indole-2-carboxamide is sourced from PubChem (CID 161488966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).