2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide

C20H32N4O — CID 128989666

IUPAC2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C20H32N4O/c1-22-10-4-5-16(19(22)17-11-21-13-24(17)3)12-23(2)20(25)18(14-6-7-14)15-8-9-15/h11,13-16,18-19H,4-10,12H2,1-3H3/t16-,19+/m0/s1
InChIKeyNMGGNCFWWULIQV-QFBILLFUSA-N
MW344.50 g/mol
LogP2.70
Rot. Bonds6

About 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide

2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide (PubChem CID 128989666) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
PubChem CID128989666
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide
SMILESCN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)C(C1CC1)C1CC1
InChIInChI=1S/C20H32N4O/c1-22-10-4-5-16(19(22)17-11-21-13-24(17)3)12-23(2)20(25)18(14-6-7-14)15-8-9-15/h11,13-16,18-19H,4-10,12H2,1-3H3/t16-,19+/m0/s1
InChIKeyNMGGNCFWWULIQV-QFBILLFUSA-N
XLogP2.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 154769445
2-methoxy-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 128977886
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-N-methyl-1-[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methanamine
CID 128983687
N,1-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 128981570
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 128989664
1,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]pyrrole-2-carboxamide
CID 128985047
N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 154741257
N-methyl-6-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methylamino]pyridazine-3-carboxamide
CID 128981766
N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,3-benzodioxole-4-carboxamide
CID 128989638
3-cyclopropyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 128985054
1-ethoxy-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]propan-2-amine
CID 128983758
(2R)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-2-thiophen-2-ylpropanamide
CID 129340191

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide (CID 128989666) is 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide is CN(C[C@@H]1CCCN(C)[C@H]1c1cncn1C)C(=O)C(C1CC1)C1CC1.
What is the InChIKey of 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide?
The InChIKey is NMGGNCFWWULIQV-QFBILLFUSA-N. The full InChI is InChI=1S/C20H32N4O/c1-22-10-4-5-16(19(22)17-11-21-13-24(17)3)12-23(2)20(25)18(14-6-7-14)15-8-9-15/h11,13-16,18-19H,4-10,12H2,1-3H3/t16-,19+/m0/s1.
What are the key properties of 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide?
2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclopropyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(3-methylimidazol-4-yl)piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 128989666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).