[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

C15H24N4O — CID 125134277

IUPAC[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cncnc2C(C)C)C1
InChIInChI=1S/C15H24N4O/c1-11(2)14-13(8-17-10-18-14)15(20)19-6-4-5-12(9-19)7-16-3/h8,10-12,16H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyBJTOOCSOMKNRPL-GFCCVEGCSA-N
MW276.38 g/mol
LogP1.67
Rot. Bonds4

About [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (PubChem CID 125134277) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
PubChem CID125134277
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
SMILESCNC[C@H]1CCCN(C(=O)c2cncnc2C(C)C)C1
InChIInChI=1S/C15H24N4O/c1-11(2)14-13(8-17-10-18-14)15(20)19-6-4-5-12(9-19)7-16-3/h8,10-12,16H,4-7,9H2,1-3H3/t12-/m1/s1
InChIKeyBJTOOCSOMKNRPL-GFCCVEGCSA-N
XLogP1.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-3-carboxylic acid
CID 125137080
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
CID 119541937
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 124688110
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(3-hydroxy-4-pyridinyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 81442707
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124688076
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395956

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone (CID 125134277) is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is CNC[C@H]1CCCN(C(=O)c2cncnc2C(C)C)C1.
What is the InChIKey of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
The InChIKey is BJTOOCSOMKNRPL-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)14-13(8-17-10-18-14)15(20)19-6-4-5-12(9-19)7-16-3/h8,10-12,16H,4-7,9H2,1-3H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone?
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 125134277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).