5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole

C21H30N2O — CID 174346481

IUPAC5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
SMILESCCOC1CCN(Cc2c(CC3CC3)cc(C)c3[nH]ccc23)CC1
InChIInChI=1S/C21H30N2O/c1-3-24-18-7-10-23(11-8-18)14-20-17(13-16-4-5-16)12-15(2)21-19(20)6-9-22-21/h6,9,12,16,18,22H,3-5,7-8,10-11,13-14H2,1-2H3
InChIKeyLHMHYDROKFCJFM-UHFFFAOYSA-N
MW326.48 g/mol
LogP4.43
Rot. Bonds6

About 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole

5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole (PubChem CID 174346481) has the molecular formula C21H30N2O and a molecular weight of 326.48 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
PubChem CID174346481
Molecular FormulaC21H30N2O
Molecular Weight326.48 g/mol
Exact Mass326.24
IUPAC Name5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole
SMILESCCOC1CCN(Cc2c(CC3CC3)cc(C)c3[nH]ccc23)CC1
InChIInChI=1S/C21H30N2O/c1-3-24-18-7-10-23(11-8-18)14-20-17(13-16-4-5-16)12-15(2)21-19(20)6-9-22-21/h6,9,12,16,18,22H,3-5,7-8,10-11,13-14H2,1-2H3
InChIKeyLHMHYDROKFCJFM-UHFFFAOYSA-N
XLogP4.43
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-7-methyl-4-[(4-propoxypiperidin-1-yl)methyl]-1H-indole
CID 174346951
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
CID 174347628
5-cyclopropyl-7-methyl-4-(piperidin-1-ylmethyl)-1H-indole
CID 131994973
4-(azetidin-1-ylmethyl)-5,7-dimethyl-1H-indole
CID 134382573
5-(cyclopropylmethyl)-7-methyl-4-[[(2S,4R)-2-phenyl-4-prop-2-ynylpiperidin-1-yl]methyl]-1H-indole
CID 172515546
5-(cyclopropylmethyl)-4-[[(2S)-4-cyclopropyl-2-phenylpiperidin-1-yl]methyl]-7-methyl-1H-indole
CID 172515513
4-[[4-(cyclopropylmethoxy)piperidin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole;2-(methylamino)benzoic acid
CID 176939616
3-[1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]propanenitrile
CID 170975574
5-methoxy-7-methyl-4-[[4-(2-methylcyclopropyl)piperidin-1-yl]methyl]-1H-indole
CID 174348038
4-[(4-cyclopropyl-4-methylpiperidin-1-yl)methyl]-5-methoxy-7-methyl-1H-indole
CID 174347955
4-[[4-(3-fluoropropyl)piperazin-1-yl]methyl]-5-methoxy-7-methyl-1H-indole
CID 166460896
4-[(2S)-4-ethoxy-1-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]piperidin-2-yl]benzoic acid;hydrochloride
CID 174060312

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole?
The IUPAC name of 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole (CID 174346481) is 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole.
What is the SMILES notation for 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole?
The canonical SMILES for 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole is CCOC1CCN(Cc2c(CC3CC3)cc(C)c3[nH]ccc23)CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole?
The InChIKey is LHMHYDROKFCJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O/c1-3-24-18-7-10-23(11-8-18)14-20-17(13-16-4-5-16)12-15(2)21-19(20)6-9-22-21/h6,9,12,16,18,22H,3-5,7-8,10-11,13-14H2,1-2H3.
What are the key properties of 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole?
5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole has a molecular weight of 326.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-4-[(4-ethoxypiperidin-1-yl)methyl]-7-methyl-1H-indole is sourced from PubChem (CID 174346481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).