[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone

C21H31N5O — CID 97205887

IUPAC[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)cn1
InChIInChI=1S/C21H31N5O/c1-16-13-17(2)23-14-19(16)21(27)26-10-5-7-18(15-26)20-22-8-12-25(20)11-6-9-24(3)4/h8,12-14,18H,5-7,9-11,15H2,1-4H3/t18-/m1/s1
InChIKeyTYTXSVSKHAYWEE-GOSISDBHSA-N
MW369.51 g/mol
LogP2.87
Rot. Bonds6

About [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone

[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone (PubChem CID 97205887) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone
PubChem CID97205887
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)cn1
InChIInChI=1S/C21H31N5O/c1-16-13-17(2)23-14-19(16)21(27)26-10-5-7-18(15-26)20-22-8-12-25(20)11-6-9-24(3)4/h8,12-14,18H,5-7,9-11,15H2,1-4H3/t18-/m1/s1
InChIKeyTYTXSVSKHAYWEE-GOSISDBHSA-N
XLogP2.87
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone with MolForge

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Related Compounds

[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 97271614
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 97268476
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97276318
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 97283595
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 72854115
3-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 97276128
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 97268972
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 72879685
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97196287
[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 72937065
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 97274758
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone (CID 97205887) is [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone is Cc1cc(C)c(C(=O)N2CCC[C@@H](c3nccn3CCCN(C)C)C2)cn1.
What is the InChIKey of [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone?
The InChIKey is TYTXSVSKHAYWEE-GOSISDBHSA-N. The full InChI is InChI=1S/C21H31N5O/c1-16-13-17(2)23-14-19(16)21(27)26-10-5-7-18(15-26)20-22-8-12-25(20)11-6-9-24(3)4/h8,12-14,18H,5-7,9-11,15H2,1-4H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone?
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone has a molecular weight of 369.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone is sourced from PubChem (CID 97205887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).