(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone

C12H19N3O — CID 115275915

IUPAC(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1(C)C(N)CCCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c1-12(2)10(13)6-4-8-15(12)11(16)9-5-3-7-14-9/h3,5,7,10,14H,4,6,8,13H2,1-2H3
InChIKeyQRWLLRAPOCXEQE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.36
Rot. Bonds1

About (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone

(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 115275915) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID115275915
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1(C)C(N)CCCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C12H19N3O/c1-12(2)10(13)6-4-8-15(12)11(16)9-5-3-7-14-9/h3,5,7,10,14H,4,6,8,13H2,1-2H3
InChIKeyQRWLLRAPOCXEQE-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone (CID 115275915) is (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone is CC1(C)C(N)CCCN1C(=O)c1ccc[nH]1.
What is the InChIKey of (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is QRWLLRAPOCXEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)10(13)6-4-8-15(12)11(16)9-5-3-7-14-9/h3,5,7,10,14H,4,6,8,13H2,1-2H3.
What are the key properties of (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone?
(3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpiperidin-1-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 115275915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).