2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

C15H25N5O — CID 65224744

IUPAC2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESCC(C)C(CN)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H25N5O/c1-11(2)13(9-16)14(21)19-12-5-3-8-20(10-12)15-17-6-4-7-18-15/h4,6-7,11-13H,3,5,8-10,16H2,1-2H3,(H,19,21)
InChIKeyCLVQMFWCLKPRFE-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.79
Rot. Bonds5

About 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (PubChem CID 65224744) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
PubChem CID65224744
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESCC(C)C(CN)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H25N5O/c1-11(2)13(9-16)14(21)19-12-5-3-8-20(10-12)15-17-6-4-7-18-15/h4,6-7,11-13H,3,5,8-10,16H2,1-2H3,(H,19,21)
InChIKeyCLVQMFWCLKPRFE-UHFFFAOYSA-N
XLogP0.79
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (CID 65224744) is 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is CC(C)C(CN)C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The InChIKey is CLVQMFWCLKPRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(2)13(9-16)14(21)19-12-5-3-8-20(10-12)15-17-6-4-7-18-15/h4,6-7,11-13H,3,5,8-10,16H2,1-2H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide has a molecular weight of 291.40 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 65224744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).