1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid

C25H40N4O4 — CID 172763054

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
SMILESCC(C)COc1cccc2[nH]c(C(=O)O)cc12.NC1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C13H15NO3.C12H25N3O/c1-8(2)7-17-12-5-3-4-10-9(12)6-11(14-10)13(15)16;13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15/h3-6,8,14H,7H2,1-2H3,(H,15,16);11-12,16H,1-10,13H2
InChIKeyLYIMRXPOXIBABJ-UHFFFAOYSA-N
MW460.62 g/mol
LogP2.77
Rot. Bonds7

About 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid

1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid (PubChem CID 172763054) has the molecular formula C25H40N4O4 and a molecular weight of 460.62 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
PubChem CID172763054
Molecular FormulaC25H40N4O4
Molecular Weight460.62 g/mol
Exact Mass460.30
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid
SMILESCC(C)COc1cccc2[nH]c(C(=O)O)cc12.NC1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C13H15NO3.C12H25N3O/c1-8(2)7-17-12-5-3-4-10-9(12)6-11(14-10)13(15)16;13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15/h3-6,8,14H,7H2,1-2H3,(H,15,16);11-12,16H,1-10,13H2
InChIKeyLYIMRXPOXIBABJ-UHFFFAOYSA-N
XLogP2.77
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 52.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid with MolForge

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Related Compounds

N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(2-methylpropoxy)-1H-indole-2-carboxamide
CID 11442047
4-(cyclopentylmethoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 59600191
(3S,4S)-1-[2-(4-aminopiperidin-1-yl)ethyl]-3-methylpiperidin-4-ol;4-[(6-chloro-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid
CID 172778905
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
4-(cyclobutylmethoxy)-N-[1-[(2S)-2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(cyclobutylmethoxy)-1H-indole-2-carboxylic acid
CID 158124989
(3S,4S)-1-[2-(4-aminopiperidin-1-yl)ethyl]-3-methylpiperidin-4-ol;4-[(6-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxylic acid;dihydrochloride
CID 172760817
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(1-benzofuran-3-ylmethoxy)-N-[1-[2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 172723526
4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
CID 160521933
4-[2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1H-indole-2-carboxylic acid
CID 22729075
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-[(7-methoxy-1-benzofuran-3-yl)methoxy]-1H-indole-2-carboxamide
CID 11157522
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid (CID 172763054) is 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid is CC(C)COc1cccc2[nH]c(C(=O)O)cc12.NC1CCN(CCN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
The InChIKey is LYIMRXPOXIBABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3.C12H25N3O/c1-8(2)7-17-12-5-3-4-10-9(12)6-11(14-10)13(15)16;13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15/h3-6,8,14H,7H2,1-2H3,(H,15,16);11-12,16H,1-10,13H2.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid?
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid has a molecular weight of 460.62 g/mol, XLogP of 2.77, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;4-(2-methylpropoxy)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 172763054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).