[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

C19H25N5O — CID 96572355

IUPAC[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(C)n1
InChIInChI=1S/C19H25N5O/c1-13-10-17(22-14(2)21-13)19(25)24-8-3-4-16(12-24)18-20-7-9-23(18)11-15-5-6-15/h7,9-10,15-16H,3-6,8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyRDWCUPBRDPPSEX-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds4

About [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (PubChem CID 96572355) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
PubChem CID96572355
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(C)n1
InChIInChI=1S/C19H25N5O/c1-13-10-17(22-14(2)21-13)19(25)24-8-3-4-16(12-24)18-20-7-9-23(18)11-15-5-6-15/h7,9-10,15-16H,3-6,8,11-12H2,1-2H3/t16-/m1/s1
InChIKeyRDWCUPBRDPPSEX-MRXNPFEDSA-N
XLogP2.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone with MolForge

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Related Compounds

(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 72928533
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 97193355
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 72903991
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 96580791
1-[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 97283837
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 97284622
4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72878672
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 72894495

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The IUPAC name of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (CID 96572355) is [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CC3CC3)C2)nc(C)n1.
What is the InChIKey of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The InChIKey is RDWCUPBRDPPSEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-10-17(22-14(2)21-13)19(25)24-8-3-4-16(12-24)18-20-7-9-23(18)11-15-5-6-15/h7,9-10,15-16H,3-6,8,11-12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is sourced from PubChem (CID 96572355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).