(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone

C23H25NO2 — CID 157345113

IUPAC(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)Cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C23H25NO2/c1-17-21-15-20(26-16-18-8-4-2-5-9-18)11-10-19(21)14-22(17)23(25)24-12-6-3-7-13-24/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3
InChIKeyBGWDKWBSMPPALE-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.61
Rot. Bonds4

About (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone

(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone (PubChem CID 157345113) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone
PubChem CID157345113
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone
SMILESCC1=C(C(=O)N2CCCCC2)Cc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C23H25NO2/c1-17-21-15-20(26-16-18-8-4-2-5-9-18)11-10-19(21)14-22(17)23(25)24-12-6-3-7-13-24/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3
InChIKeyBGWDKWBSMPPALE-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
ethyl 1-methyl-7-phenylmethoxy-3,4-dihydronaphthalene-2-carboxylate
CID 163766107
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
(2E)-2-(4-phenylmethoxy-7-bicyclo[4.2.0]octa-1(6),2,4-trienylidene)acetic acid
CID 68770096
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
CID 58380051
(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 826425
(6-bromo-2-methyl-3-phenylmethoxyphenyl)-piperidin-1-ylmethanone
CID 171369301
8-methylidene-3-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene;4-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 160808164
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791
(E)-1-(azepan-1-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 724601
N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 16718779

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone (CID 157345113) is (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone is CC1=C(C(=O)N2CCCCC2)Cc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone?
The InChIKey is BGWDKWBSMPPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-17-21-15-20(26-16-18-8-4-2-5-9-18)11-10-19(21)14-22(17)23(25)24-12-6-3-7-13-24/h2,4-5,8-11,15H,3,6-7,12-14,16H2,1H3.
What are the key properties of (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone?
(3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone has a molecular weight of 347.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phenylmethoxy-1H-inden-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 157345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).