(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

C19H26N6O2 — CID 126447086

IUPAC(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)n1
InChIInChI=1S/C19H26N6O2/c1-13-11-14(2)23-16(22-13)6-7-21-19(27)25-9-4-5-15(12-25)17(26)18-20-8-10-24(18)3/h8,10-11,15H,4-7,9,12H2,1-3H3,(H,21,27)/t15-/m0/s1
InChIKeyQLWLJDSIHRPCRZ-HNNXBMFYSA-N
MW370.46 g/mol
LogP1.67
Rot. Bonds5

About (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide

(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (PubChem CID 126447086) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
PubChem CID126447086
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
SMILESCc1cc(C)nc(CCNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)n1
InChIInChI=1S/C19H26N6O2/c1-13-11-14(2)23-16(22-13)6-7-21-19(27)25-9-4-5-15(12-25)17(26)18-20-8-10-24(18)3/h8,10-11,15H,4-7,9,12H2,1-3H3,(H,21,27)/t15-/m0/s1
InChIKeyQLWLJDSIHRPCRZ-HNNXBMFYSA-N
XLogP1.67
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
N-[(4-methoxyphenyl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 119061153
(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126424079
4,6-dimethyl-1-[2-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 96575005
(3R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126429422
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
2,4-dimethyl-5-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136764566
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 45189605
(1-methylimidazol-2-yl)-[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 70723610
(1-methylimidazol-2-yl)-[(3S)-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 95125513

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide (CID 126447086) is (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is Cc1cc(C)nc(CCNC(=O)N2CCC[C@H](C(=O)c3nccn3C)C2)n1.
What is the InChIKey of (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is QLWLJDSIHRPCRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13-11-14(2)23-16(22-13)6-7-21-19(27)25-9-4-5-15(12-25)17(26)18-20-8-10-24(18)3/h8,10-11,15H,4-7,9,12H2,1-3H3,(H,21,27)/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide?
(3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 126447086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).