[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone

C23H29N5O — CID 155916152

IUPAC[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCC(C2CCN(Cc3ncc[nH]3)CC2)CC1
InChIInChI=1S/C23H29N5O/c29-23(20-3-1-2-19-4-9-26-22(19)20)28-14-7-18(8-15-28)17-5-12-27(13-6-17)16-21-24-10-11-25-21/h1-4,9-11,17-18,26H,5-8,12-16H2,(H,24,25)
InChIKeyFRZBUGJJKAIMPO-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.66
Rot. Bonds4

About [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone

[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 155916152) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID155916152
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESO=C(c1cccc2cc[nH]c12)N1CCC(C2CCN(Cc3ncc[nH]3)CC2)CC1
InChIInChI=1S/C23H29N5O/c29-23(20-3-1-2-19-4-9-26-22(19)20)28-14-7-18(8-15-28)17-5-12-27(13-6-17)16-21-24-10-11-25-21/h1-4,9-11,17-18,26H,5-8,12-16H2,(H,24,25)
InChIKeyFRZBUGJJKAIMPO-UHFFFAOYSA-N
XLogP3.66
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(1H-indol-7-yl)methanone
CID 106671264
1-(1H-indole-7-carbonyl)piperidin-4-one
CID 112531297
[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
CID 95866622
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
1H-indol-7-yl-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 126795994
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1H-indol-7-yl)methanone
CID 96559171
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 56893108
(4-amino-3-methylpiperidin-1-yl)-(1H-indol-7-yl)methanone
CID 79879645
[4-[(2-butyl-1H-imidazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1H-indol-7-yl)methanone
CID 134699256
methyl 1-(1H-indole-7-carbonyl)pyrrolidine-3-carboxylate
CID 79035876
4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
1H-indol-7-yl-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]methanone
CID 97235875

Frequently Asked Questions

What is the IUPAC name of [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone (CID 155916152) is [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone is O=C(c1cccc2cc[nH]c12)N1CCC(C2CCN(Cc3ncc[nH]3)CC2)CC1.
What is the InChIKey of [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is FRZBUGJJKAIMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c29-23(20-3-1-2-19-4-9-26-22(19)20)28-14-7-18(8-15-28)17-5-12-27(13-6-17)16-21-24-10-11-25-21/h1-4,9-11,17-18,26H,5-8,12-16H2,(H,24,25).
What are the key properties of [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
[4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 391.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 155916152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).