[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone

C15H24N4O — CID 128880805

IUPAC[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone
SMILESCC1CC(C)N(C(=O)c2cnn3c2CCC3)CC1CN
InChIInChI=1S/C15H24N4O/c1-10-6-11(2)18(9-12(10)7-16)15(20)13-8-17-19-5-3-4-14(13)19/h8,10-12H,3-7,9,16H2,1-2H3
InChIKeyHZRIOSMHLSHOPI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds2

About [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone

[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone (PubChem CID 128880805) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone
PubChem CID128880805
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone
SMILESCC1CC(C)N(C(=O)c2cnn3c2CCC3)CC1CN
InChIInChI=1S/C15H24N4O/c1-10-6-11(2)18(9-12(10)7-16)15(20)13-8-17-19-5-3-4-14(13)19/h8,10-12H,3-7,9,16H2,1-2H3
InChIKeyHZRIOSMHLSHOPI-UHFFFAOYSA-N
XLogP1.27
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone?
The IUPAC name of [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone (CID 128880805) is [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone?
The canonical SMILES for [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone is CC1CC(C)N(C(=O)c2cnn3c2CCC3)CC1CN.
What is the InChIKey of [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone?
The InChIKey is HZRIOSMHLSHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-6-11(2)18(9-12(10)7-16)15(20)13-8-17-19-5-3-4-14(13)19/h8,10-12H,3-7,9,16H2,1-2H3.
What are the key properties of [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone?
[5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2,4-dimethylpiperidin-1-yl]-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)methanone is sourced from PubChem (CID 128880805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).