N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide

C26H32N4O2 — CID 150370675

IUPACN-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide
SMILESO=C(NN1CCC(Cc2ccccc2)C(CN2CCOCC2)C1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C26H32N4O2/c31-26(23-6-7-25-22(17-23)8-10-27-25)28-30-11-9-21(16-20-4-2-1-3-5-20)24(19-30)18-29-12-14-32-15-13-29/h1-8,10,17,21,24,27H,9,11-16,18-19H2,(H,28,31)
InChIKeyGXQYWEPVUCXLTC-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.33
Rot. Bonds6

About N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide

N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide (PubChem CID 150370675) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide
PubChem CID150370675
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide
SMILESO=C(NN1CCC(Cc2ccccc2)C(CN2CCOCC2)C1)c1ccc2[nH]ccc2c1
InChIInChI=1S/C26H32N4O2/c31-26(23-6-7-25-22(17-23)8-10-27-25)28-30-11-9-21(16-20-4-2-1-3-5-20)24(19-30)18-29-12-14-32-15-13-29/h1-8,10,17,21,24,27H,9,11-16,18-19H2,(H,28,31)
InChIKeyGXQYWEPVUCXLTC-UHFFFAOYSA-N
XLogP3.33
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-benzyl-3-(2,2,2-trifluoroacetyl)piperidin-1-yl]-1H-indole-6-carboxamide
CID 54374768
[(2S,3R)-2-benzyl-3-hydroxypyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 97470101
N-[(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-3-yl]-1H-indole-5-carboxamide
CID 110202451
1H-indol-5-yl-[8-(morpholin-4-ylmethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]methanone
CID 146066593
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
N-morpholin-4-yl-2-oxo-1H-pyridine-4-carboxamide
CID 103799894
2-[4-(1H-indole-5-carbonylamino)piperidin-1-yl]acetic acid
CID 121494840
benzyl 4-[(1H-indole-5-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933443
(6S)-4-(cyclopropylmethyl)-6-(1H-indol-5-ylmethyl)-1,4-oxazepane
CID 125013548
N-(4-methyloxan-4-yl)-1H-indole-5-carboxamide
CID 115759610
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-[4-[(4-fluorophenyl)methyl]-2-methoxypiperidin-1-yl]-1H-indole-5-carboxamide
CID 54513941

Frequently Asked Questions

What is the IUPAC name of N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide?
The IUPAC name of N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide (CID 150370675) is N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide is O=C(NN1CCC(Cc2ccccc2)C(CN2CCOCC2)C1)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide?
The InChIKey is GXQYWEPVUCXLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c31-26(23-6-7-25-22(17-23)8-10-27-25)28-30-11-9-21(16-20-4-2-1-3-5-20)24(19-30)18-29-12-14-32-15-13-29/h1-8,10,17,21,24,27H,9,11-16,18-19H2,(H,28,31).
What are the key properties of N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide?
N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-benzyl-3-(morpholin-4-ylmethyl)piperidin-1-yl]-1H-indole-5-carboxamide is sourced from PubChem (CID 150370675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).