[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

C15H25N3O — CID 115304443

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCNC1(C)CCN(C(=O)c2cccn2C(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-12(2)18-9-5-6-13(18)14(19)17-10-7-15(3,16-4)8-11-17/h5-6,9,12,16H,7-8,10-11H2,1-4H3
InChIKeyVLSHJOXFUDPOFQ-UHFFFAOYSA-N
MW263.39 g/mol
LogP2.28
Rot. Bonds3

About [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone

[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (PubChem CID 115304443) has the molecular formula C15H25N3O and a molecular weight of 263.39 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
PubChem CID115304443
Molecular FormulaC15H25N3O
Molecular Weight263.39 g/mol
Exact Mass263.20
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCNC1(C)CCN(C(=O)c2cccn2C(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-12(2)18-9-5-6-13(18)14(19)17-10-7-15(3,16-4)8-11-17/h5-6,9,12,16H,7-8,10-11H2,1-4H3
InChIKeyVLSHJOXFUDPOFQ-UHFFFAOYSA-N
XLogP2.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-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

(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304310
(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 72843342
(3S)-3-phenyl-8-(1-propan-2-ylpyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97205646
N-(4-methylpiperidin-4-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 114696521
[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 115304551
(5-bromothiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304624
2-(3-hydroxypropyl)-9-(1-propan-2-ylpyrrole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854659
(4-cyclohexyl-1,4-diazepan-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 135088139
(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
CID 65460739
2-[4-(1-propan-2-ylpyrrole-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 75514465
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
2-[1-(1-propan-2-ylpyrrole-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604559

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone (CID 115304443) is [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is CNC1(C)CCN(C(=O)c2cccn2C(C)C)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
The InChIKey is VLSHJOXFUDPOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12(2)18-9-5-6-13(18)14(19)17-10-7-15(3,16-4)8-11-17/h5-6,9,12,16H,7-8,10-11H2,1-4H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone has a molecular weight of 263.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-(1-propan-2-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 115304443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).