(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone

C23H27NO — CID 159024490

IUPAC(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone
SMILESCC1(Cc2ccccc2)CCc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H27NO/c1-23(17-18-8-4-2-5-9-18)13-12-19-16-20(10-11-21(19)23)22(25)24-14-6-3-7-15-24/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3
InChIKeyMRAIDSMATNRSIU-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.76
Rot. Bonds3

About (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone

(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone (PubChem CID 159024490) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone
PubChem CID159024490
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone
SMILESCC1(Cc2ccccc2)CCc2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H27NO/c1-23(17-18-8-4-2-5-9-18)13-12-19-16-20(10-11-21(19)23)22(25)24-14-6-3-7-15-24/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3
InChIKeyMRAIDSMATNRSIU-UHFFFAOYSA-N
XLogP4.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-benzyl-3-(hydroxymethyl)-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
CID 102485815
[3-[(4-chlorophenyl)methyl]-3-methyl-2H-1-benzofuran-6-yl]-piperidin-1-ylmethanone
CID 44626400
1-benzyl-6-(piperidine-1-carbonyl)-3,4-dihydroquinolin-2-one
CID 53135752
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-(2,3-dihydro-1H-indene-5-carbonyl)-4-methylpiperidine-4-carbothioamide
CID 107160873
3-[methyl-[[3-(piperidine-1-carbonyl)phenyl]methyl]amino]propanoic acid
CID 119911984
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[3-(chloromethyl)phenyl]-piperidin-1-ylmethanone
CID 10014405
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 139012650

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone (CID 159024490) is (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone is CC1(Cc2ccccc2)CCc2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone?
The InChIKey is MRAIDSMATNRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-23(17-18-8-4-2-5-9-18)13-12-19-16-20(10-11-21(19)23)22(25)24-14-6-3-7-15-24/h2,4-5,8-11,16H,3,6-7,12-15,17H2,1H3.
What are the key properties of (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone?
(1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone has a molecular weight of 333.48 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-1-methyl-2,3-dihydroinden-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 159024490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).