piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone

C13H20N2O — CID 82494175

IUPACpiperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)C2CCCNC2)c(C)n1C
InChIInChI=1S/C13H20N2O/c1-9-7-12(10(2)15(9)3)13(16)11-5-4-6-14-8-11/h7,11,14H,4-6,8H2,1-3H3
InChIKeyBZFPNUWKDMRDRW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.82
Rot. Bonds2

About piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone

piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone (PubChem CID 82494175) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone.

Molecular Properties

Compound Namepiperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone
PubChem CID82494175
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namepiperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone
SMILESCc1cc(C(=O)C2CCCNC2)c(C)n1C
InChIInChI=1S/C13H20N2O/c1-9-7-12(10(2)15(9)3)13(16)11-5-4-6-14-8-11/h7,11,14H,4-6,8H2,1-3H3
InChIKeyBZFPNUWKDMRDRW-UHFFFAOYSA-N
XLogP1.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone 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

(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
(4-chloro-2-methylphenyl)-piperidin-3-ylmethanone;hydrochloride
CID 154891669
pyrrolidin-3-yl-(2,4,5-trimethylphenyl)methanone
CID 116568229
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62029794
(4-ethoxy-2-methylphenyl)-piperidin-3-ylmethanone
CID 82553697
(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467
(3S)-N-(2,5-dimethylpyrrol-1-yl)piperidine-3-carboxamide
CID 81134213
(5-methylfuran-2-yl)-piperidin-3-ylmethanone
CID 116916948

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone?
The IUPAC name of piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone (CID 82494175) is piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone.
What is the SMILES notation for piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone?
The canonical SMILES for piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone is Cc1cc(C(=O)C2CCCNC2)c(C)n1C.
What is the InChIKey of piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone?
The InChIKey is BZFPNUWKDMRDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9-7-12(10(2)15(9)3)13(16)11-5-4-6-14-8-11/h7,11,14H,4-6,8H2,1-3H3.
What are the key properties of piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone?
piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone has a molecular weight of 220.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone is sourced from PubChem (CID 82494175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).