(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one

C24H33N3O — CID 92709898

IUPAC(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1cccc([C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)n2cccc2)c1
InChIInChI=1S/C24H33N3O/c1-20-8-7-9-21(18-20)23(26-14-5-6-15-26)19-24(28)27-16-10-22(11-17-27)25-12-3-2-4-13-25/h5-9,14-15,18,22-23H,2-4,10-13,16-17,19H2,1H3/t23-/m1/s1
InChIKeyHTRDZLTYOGLOMO-HSZRJFAPSA-N
MW379.55 g/mol
LogP4.25
Rot. Bonds5

About (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one

(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one (PubChem CID 92709898) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
PubChem CID92709898
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one
SMILESCc1cccc([C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)n2cccc2)c1
InChIInChI=1S/C24H33N3O/c1-20-8-7-9-21(18-20)23(26-14-5-6-15-26)19-24(28)27-16-10-22(11-17-27)25-12-3-2-4-13-25/h5-9,14-15,18,22-23H,2-4,10-13,16-17,19H2,1H3/t23-/m1/s1
InChIKeyHTRDZLTYOGLOMO-HSZRJFAPSA-N
XLogP4.25
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one with MolForge

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Related Compounds

(3R)-3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709861
1-(2,3-dihydroindol-1-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46343011
ethyl 4-[(3R)-3-(4-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperazine-1-carboxylate
CID 92709290
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496
3-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propanoic acid
CID 82133126
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
2-anilino-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119842954
(3R)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 92709296
ethyl 1-[3-(2-methylphenyl)-3-pyrrol-1-ylpropanoyl]piperidine-4-carboxylate
CID 46342918
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4-methylphenyl)-3-pyrrol-1-ylpropan-1-one
CID 46342737
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-phenyl-3-pyrrol-1-ylpropan-1-one
CID 46343081

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The IUPAC name of (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one (CID 92709898) is (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The canonical SMILES for (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one is Cc1cccc([C@@H](CC(=O)N2CCC(N3CCCCC3)CC2)n2cccc2)c1.
What is the InChIKey of (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
The InChIKey is HTRDZLTYOGLOMO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H33N3O/c1-20-8-7-9-21(18-20)23(26-14-5-6-15-26)19-24(28)27-16-10-22(11-17-27)25-12-3-2-4-13-25/h5-9,14-15,18,22-23H,2-4,10-13,16-17,19H2,1H3/t23-/m1/s1.
What are the key properties of (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one?
(3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one has a molecular weight of 379.55 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)-3-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 92709898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).