3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole

C18H22N4 — CID 136580194

IUPAC3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
SMILESCn1ccnc1CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H22N4/c1-21-11-8-19-18(21)13-22-9-6-14(7-10-22)16-12-20-17-5-3-2-4-15(16)17/h2-5,8,11-12,14,20H,6-7,9-10,13H2,1H3
InChIKeyLVHWZRNQJDKLTI-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.28
Rot. Bonds3

About 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole

3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole (PubChem CID 136580194) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
PubChem CID136580194
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
SMILESCn1ccnc1CN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H22N4/c1-21-11-8-19-18(21)13-22-9-6-14(7-10-22)16-12-20-17-5-3-2-4-15(16)17/h2-5,8,11-12,14,20H,6-7,9-10,13H2,1H3
InChIKeyLVHWZRNQJDKLTI-UHFFFAOYSA-N
XLogP3.28
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 56787398
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
3-[1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperidin-4-yl]-1H-indole
CID 55988843
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole (CID 136580194) is 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole is Cn1ccnc1CN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole?
The InChIKey is LVHWZRNQJDKLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-21-11-8-19-18(21)13-22-9-6-14(7-10-22)16-12-20-17-5-3-2-4-15(16)17/h2-5,8,11-12,14,20H,6-7,9-10,13H2,1H3.
What are the key properties of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole?
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole has a molecular weight of 294.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 136580194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).