(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

C13H22N4O — CID 120992898

IUPAC(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C13H22N4O/c1-10(14)13(18)17-6-3-4-11(9-17)8-12-15-5-7-16(12)2/h5,7,10-11H,3-4,6,8-9,14H2,1-2H3/t10-,11?/m1/s1
InChIKeyDWEJJUOJGUACOD-NFJWQWPMSA-N
MW250.35 g/mol
LogP0.55
Rot. Bonds3

About (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one (PubChem CID 120992898) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
PubChem CID120992898
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C13H22N4O/c1-10(14)13(18)17-6-3-4-11(9-17)8-12-15-5-7-16(12)2/h5,7,10-11H,3-4,6,8-9,14H2,1-2H3/t10-,11?/m1/s1
InChIKeyDWEJJUOJGUACOD-NFJWQWPMSA-N
XLogP0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 120872894
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075864
(3S)-3-[(1-methylimidazol-2-yl)methyl]-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 124588257
[2-(4-fluorophenyl)cyclopropyl]-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 71915908
2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 126782840
[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 71847443
2-methyl-1-[3-(pyrimidin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110256025
3-methoxy-1-[(3S)-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95843170

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one (CID 120992898) is (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCCC(Cc2nccn2C)C1.
What is the InChIKey of (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is DWEJJUOJGUACOD-NFJWQWPMSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(14)13(18)17-6-3-4-11(9-17)8-12-15-5-7-16(12)2/h5,7,10-11H,3-4,6,8-9,14H2,1-2H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 250.35 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 120992898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).