cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone

C14H22N4O — CID 43747909

IUPACcyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1CNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H22N4O/c1-10-12(9-16-17-10)8-15-13-4-6-18(7-5-13)14(19)11-2-3-11/h9,11,13,15H,2-8H2,1H3,(H,16,17)
InChIKeyGRMVABNAMXNLCE-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.21
Rot. Bonds4

About cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone (PubChem CID 43747909) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
PubChem CID43747909
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Namecyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
SMILESCc1[nH]ncc1CNC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H22N4O/c1-10-12(9-16-17-10)8-15-13-4-6-18(7-5-13)14(19)11-2-3-11/h9,11,13,15H,2-8H2,1H3,(H,16,17)
InChIKeyGRMVABNAMXNLCE-UHFFFAOYSA-N
XLogP1.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone (CID 43747909) is cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone is Cc1[nH]ncc1CNC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
The InChIKey is GRMVABNAMXNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-12(9-16-17-10)8-15-13-4-6-18(7-5-13)14(19)11-2-3-11/h9,11,13,15H,2-8H2,1H3,(H,16,17).
What are the key properties of cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43747909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).