(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone

C16H27N3O — CID 119489255

IUPAC(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1
InChIInChI=1S/C16H27N3O/c1-11(2)19-12(3)9-15(13(19)4)16(20)18-8-6-7-14(10-18)17-5/h9,11,14,17H,6-8,10H2,1-5H3
InChIKeyHVUJCCHNZHZPJR-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.51
Rot. Bonds3

About (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119489255) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119489255
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1
InChIInChI=1S/C16H27N3O/c1-11(2)19-12(3)9-15(13(19)4)16(20)18-8-6-7-14(10-18)17-5/h9,11,14,17H,6-8,10H2,1-5H3
InChIKeyHVUJCCHNZHZPJR-UHFFFAOYSA-N
XLogP2.51
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110698941
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395956
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575295
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539527
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682210
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734855
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575161
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577534
[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490318
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649594
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301379

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119489255) is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1.
What is the InChIKey of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is HVUJCCHNZHZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)19-12(3)9-15(13(19)4)16(20)18-8-6-7-14(10-18)17-5/h9,11,14,17H,6-8,10H2,1-5H3.
What are the key properties of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 277.41 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119489255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).