(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

C17H27N3O — CID 62716093

IUPAC(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccn2C2CCNCC2)C1
InChIInChI=1S/C17H27N3O/c1-13-10-14(2)12-19(11-13)17(21)16-4-3-9-20(16)15-5-7-18-8-6-15/h3-4,9,13-15,18H,5-8,10-12H2,1-2H3
InChIKeyVYYONLJTDRRBNK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.53
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone

(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 62716093) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID62716093
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cccn2C2CCNCC2)C1
InChIInChI=1S/C17H27N3O/c1-13-10-14(2)12-19(11-13)17(21)16-4-3-9-20(16)15-5-7-18-8-6-15/h3-4,9,13-15,18H,5-8,10-12H2,1-2H3
InChIKeyVYYONLJTDRRBNK-UHFFFAOYSA-N
XLogP2.53
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 63634555
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
N-(3-methylcyclopentyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 114546140
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
(1-methylpyrrol-2-yl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66196928
N-(2-ethylcyclopropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811287
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 62716093) is (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is CC1CC(C)CN(C(=O)c2cccn2C2CCNCC2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is VYYONLJTDRRBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-10-14(2)12-19(11-13)17(21)16-4-3-9-20(16)15-5-7-18-8-6-15/h3-4,9,13-15,18H,5-8,10-12H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 289.42 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 62716093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).