6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole

C26H31ClN2O — CID 18545911

IUPAC6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole
SMILESCCCOc1cccc2c1CCC2CN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H31ClN2O/c1-2-14-30-26-5-3-4-21-19(6-8-23(21)26)17-29-12-10-18(11-13-29)24-16-28-25-15-20(27)7-9-22(24)25/h3-5,7,9,15-16,18-19,28H,2,6,8,10-14,17H2,1H3
InChIKeyXKIVFSGFPGHISW-UHFFFAOYSA-N
MW423.00 g/mol
LogP6.52
Rot. Bonds6

About 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole

6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole (PubChem CID 18545911) has the molecular formula C26H31ClN2O and a molecular weight of 423.00 g/mol. Its IUPAC name is 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole
PubChem CID18545911
Molecular FormulaC26H31ClN2O
Molecular Weight423.00 g/mol
Exact Mass422.21
IUPAC Name6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole
SMILESCCCOc1cccc2c1CCC2CN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C26H31ClN2O/c1-2-14-30-26-5-3-4-21-19(6-8-23(21)26)17-29-12-10-18(11-13-29)24-16-28-25-15-20(27)7-9-22(24)25/h3-5,7,9,15-16,18-19,28H,2,6,8,10-14,17H2,1H3
InChIKeyXKIVFSGFPGHISW-UHFFFAOYSA-N
XLogP6.52
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole with MolForge

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Related Compounds

6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
(1S)-3-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-1-(1H-indol-4-yloxy)propan-1-ol
CID 142627626
6-chloro-3-[1-[(4-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 18545828
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
3-[1-[2-(1H-indol-4-yloxy)ethyl]piperidin-4-yl]-1H-indole
CID 134100949
(E)-but-2-enedioic acid;3-[1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 18545878
[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174813867
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
6-[[2-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,6,7,8-tetrahydrocyclopenta[g]indole
CID 70023341
methyl 3-[1-(3-aminopropyl)piperidin-4-yl]-1H-indole-6-carboxylate
CID 22909425
3-[1-[3-(1H-indol-3-yloxy)propyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-indole
CID 67762256
1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113087714

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole (CID 18545911) is 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole is CCCOc1cccc2c1CCC2CN1CCC(c2c[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole?
The InChIKey is XKIVFSGFPGHISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O/c1-2-14-30-26-5-3-4-21-19(6-8-23(21)26)17-29-12-10-18(11-13-29)24-16-28-25-15-20(27)7-9-22(24)25/h3-5,7,9,15-16,18-19,28H,2,6,8,10-14,17H2,1H3.
What are the key properties of 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole?
6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole has a molecular weight of 423.00 g/mol, XLogP of 6.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(4-propoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 18545911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).