trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C15H24N4O — CID 126812585

IUPACtrans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-17-6-4-12(5-7-17)19(3)15(20)14-8-13(14)11-9-16-18(2)10-11/h9-10,12-14H,4-8H2,1-3H3/t13-,14+/m0/s1
InChIKeyAMRMFHFYBRPCDY-UONOGXRCSA-N
MW276.38 g/mol
LogP1.08
Rot. Bonds3

About trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 126812585) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID126812585
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Nametrans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1
InChIInChI=1S/C15H24N4O/c1-17-6-4-12(5-7-17)19(3)15(20)14-8-13(14)11-9-16-18(2)10-11/h9-10,12-14H,4-8H2,1-3H3/t13-,14+/m0/s1
InChIKeyAMRMFHFYBRPCDY-UONOGXRCSA-N
XLogP1.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 126812585) is trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is CN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1.
What is the InChIKey of trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is AMRMFHFYBRPCDY-UONOGXRCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-6-4-12(5-7-17)19(3)15(20)14-8-13(14)11-9-16-18(2)10-11/h9-10,12-14H,4-8H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 126812585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).