3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole

C21H31N3 — CID 70036582

IUPAC3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole
SMILESc1ccc2c(C3CCN(CCCC4CCCNC4)CC3)c[nH]c2c1
InChIInChI=1S/C21H31N3/c1-2-8-21-19(7-1)20(16-23-21)18-9-13-24(14-10-18)12-4-6-17-5-3-11-22-15-17/h1-2,7-8,16-18,22-23H,3-6,9-15H2
InChIKeyCACYBZPPGMVJSS-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.13
Rot. Bonds5

About 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole

3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole (PubChem CID 70036582) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole
PubChem CID70036582
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC Name3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole
SMILESc1ccc2c(C3CCN(CCCC4CCCNC4)CC3)c[nH]c2c1
InChIInChI=1S/C21H31N3/c1-2-8-21-19(7-1)20(16-23-21)18-9-13-24(14-10-18)12-4-6-17-5-3-11-22-15-17/h1-2,7-8,16-18,22-23H,3-6,9-15H2
InChIKeyCACYBZPPGMVJSS-UHFFFAOYSA-N
XLogP4.13
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
3-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
CID 10667957
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
CID 136580194
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole (CID 70036582) is 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole is c1ccc2c(C3CCN(CCCC4CCCNC4)CC3)c[nH]c2c1.
What is the InChIKey of 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole?
The InChIKey is CACYBZPPGMVJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-2-8-21-19(7-1)20(16-23-21)18-9-13-24(14-10-18)12-4-6-17-5-3-11-22-15-17/h1-2,7-8,16-18,22-23H,3-6,9-15H2.
What are the key properties of 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole?
3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole has a molecular weight of 325.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 70036582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).