2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one

C15H26N4O — CID 43747742

IUPAC2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1CNC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-11-12(10-17-18-11)9-16-13-5-7-19(8-6-13)14(20)15(2,3)4/h10,13,16H,5-9H2,1-4H3,(H,17,18)
InChIKeyCBBMBJPVKQFCLM-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds3

About 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one (PubChem CID 43747742) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
PubChem CID43747742
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
SMILESCc1[nH]ncc1CNC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H26N4O/c1-11-12(10-17-18-11)9-16-13-5-7-19(8-6-13)14(20)15(2,3)4/h10,13,16H,5-9H2,1-4H3,(H,17,18)
InChIKeyCBBMBJPVKQFCLM-UHFFFAOYSA-N
XLogP1.84
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one (CID 43747742) is 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one is Cc1[nH]ncc1CNC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is CBBMBJPVKQFCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-12(10-17-18-11)9-16-13-5-7-19(8-6-13)14(20)15(2,3)4/h10,13,16H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 278.40 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43747742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).