N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide

C19H27N5O — CID 135135294

IUPACN-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)[nH]1
InChIInChI=1S/C19H27N5O/c1-13-7-17(8-14(2)21-13)9-16-5-4-6-24(11-16)12-18-10-20-19(23-18)22-15(3)25/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H2,20,22,23,25)/t16-/m1/s1
InChIKeyXUVDFUHNDSSENU-MRXNPFEDSA-N
MW341.46 g/mol
LogP2.83
Rot. Bonds5

About N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide

N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide (PubChem CID 135135294) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide
PubChem CID135135294
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)[nH]1
InChIInChI=1S/C19H27N5O/c1-13-7-17(8-14(2)21-13)9-16-5-4-6-24(11-16)12-18-10-20-19(23-18)22-15(3)25/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H2,20,22,23,25)/t16-/m1/s1
InChIKeyXUVDFUHNDSSENU-MRXNPFEDSA-N
XLogP2.83
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide with MolForge

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Related Compounds

N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 146287833
N-[4-bromo-5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146284871
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
CID 146287978
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]methyl]-1H-pyrazol-3-yl]acetamide;hydrochloride
CID 162331842
N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
CID 139500954
4-[[1-[(4-bromo-2-ethoxy-1H-imidazol-5-yl)methyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146288297
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[5-[[(6R)-6-[(2,6-dimethyl-4-pyridinyl)methyl]-1,4-oxazepan-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146629115
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide (CID 135135294) is N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)[nH]1.
What is the InChIKey of N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide?
The InChIKey is XUVDFUHNDSSENU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N5O/c1-13-7-17(8-14(2)21-13)9-16-5-4-6-24(11-16)12-18-10-20-19(23-18)22-15(3)25/h7-8,10,16H,4-6,9,11-12H2,1-3H3,(H2,20,22,23,25)/t16-/m1/s1.
What are the key properties of N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide?
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide has a molecular weight of 341.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide is sourced from PubChem (CID 135135294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).