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

C16H28N4O — CID 61114045

IUPAC(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)n1cc(N)cc1C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-12(2)20-11-14(17)9-15(20)16(21)19-7-5-13(6-8-19)10-18(3)4/h9,11-13H,5-8,10,17H2,1-4H3
InChIKeyQFMGYRSFMKLHIN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.07
Rot. Bonds4

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

(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 61114045) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID61114045
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCC(C)n1cc(N)cc1C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C16H28N4O/c1-12(2)20-11-14(17)9-15(20)16(21)19-7-5-13(6-8-19)10-18(3)4/h9,11-13H,5-8,10,17H2,1-4H3
InChIKeyQFMGYRSFMKLHIN-UHFFFAOYSA-N
XLogP2.07
TPSA54.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 61114045) is (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CC(C)n1cc(N)cc1C(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is QFMGYRSFMKLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)20-11-14(17)9-15(20)16(21)19-7-5-13(6-8-19)10-18(3)4/h9,11-13H,5-8,10,17H2,1-4H3.
What are the key properties of (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 292.43 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propan-2-ylpyrrol-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 61114045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).