(2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide

C13H21N5O — CID 30465285

IUPAC(2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
SMILESCC[C@H](C)C(=O)Nc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-10(2)11(19)16-12-14-9-15-13(17-12)18-7-5-4-6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16,17,19)/t10-/m0/s1
InChIKeyKFVFCNSVTHQBLO-JTQLQIEISA-N
MW263.34 g/mol
LogP1.85
Rot. Bonds4

About (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide

(2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide (PubChem CID 30465285) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
PubChem CID30465285
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
SMILESCC[C@H](C)C(=O)Nc1ncnc(N2CCCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-10(2)11(19)16-12-14-9-15-13(17-12)18-7-5-4-6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16,17,19)/t10-/m0/s1
InChIKeyKFVFCNSVTHQBLO-JTQLQIEISA-N
XLogP1.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-6-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 2730056
N-(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 2808474
1-(4-Chloro-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 54577220
2-(1,4-dimethylpiperidin-1-ium-1-yl)-N-(1,3,5-triazin-2-yl)acetamide
CID 57861975
N-piperidin-4-yl-N-(1,3,5-triazin-2-yl)propanamide
CID 91061727
1-(1,3,5-Triazin-2-yl)piperidine-4-carboxamide
CID 137520884
N-[4-(piperidine-4-carbonylamino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
CID 172064078
N-[1-(1,3,5-triazin-2-yl)piperidin-4-yl]propanamide
CID 173123151
N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)acetamide
CID 30465279
(2R)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
CID 30465282
2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide
CID 43832542
2-[1-[4-Chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
CID 62863942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
The IUPAC name of (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide (CID 30465285) is (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide.
What is the SMILES notation for (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
The canonical SMILES for (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide is CC[C@H](C)C(=O)Nc1ncnc(N2CCCCC2)n1.
What is the InChIKey of (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
The InChIKey is KFVFCNSVTHQBLO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-10(2)11(19)16-12-14-9-15-13(17-12)18-7-5-4-6-8-18/h9-10H,3-8H2,1-2H3,(H,14,15,16,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide?
(2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide has a molecular weight of 263.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(4-piperidin-1-yl-1,3,5-triazin-2-yl)butanamide is sourced from PubChem (CID 30465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).