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

C18H26N4O — CID 119887256

IUPAC(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)n1c(C2CCCN(C(=O)[C@@H](C)N)C2)nc2ccccc21
InChIInChI=1S/C18H26N4O/c1-12(2)22-16-9-5-4-8-15(16)20-17(22)14-7-6-10-21(11-14)18(23)13(3)19/h4-5,8-9,12-14H,6-7,10-11,19H2,1-3H3/t13-,14?/m1/s1
InChIKeyAYLNGTOLZSIXSU-KWCCSABGSA-N
MW314.43 g/mol
LogP2.67
Rot. Bonds3

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

(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 119887256) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID119887256
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)n1c(C2CCCN(C(=O)[C@@H](C)N)C2)nc2ccccc21
InChIInChI=1S/C18H26N4O/c1-12(2)22-16-9-5-4-8-15(16)20-17(22)14-7-6-10-21(11-14)18(23)13(3)19/h4-5,8-9,12-14H,6-7,10-11,19H2,1-3H3/t13-,14?/m1/s1
InChIKeyAYLNGTOLZSIXSU-KWCCSABGSA-N
XLogP2.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methylsulfanyl-1-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 95348209
2-methyl-3-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119887263
2-(methylamino)-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 120704503
[(2R)-piperidin-2-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 119887232
cyclopenten-1-yl-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 102559687
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 120636549
N-carbamoyl-2-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]acetamide
CID 95321353
3-piperidin-4-yl-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119887269
[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 99808037
4-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]butanoic acid
CID 119958693
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 146361758
(5-ethyl-1H-imidazol-4-yl)-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 154844185

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one (CID 119887256) is (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one is CC(C)n1c(C2CCCN(C(=O)[C@@H](C)N)C2)nc2ccccc21.
What is the InChIKey of (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AYLNGTOLZSIXSU-KWCCSABGSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12(2)22-16-9-5-4-8-15(16)20-17(22)14-7-6-10-21(11-14)18(23)13(3)19/h4-5,8-9,12-14H,6-7,10-11,19H2,1-3H3/t13-,14?/m1/s1.
What are the key properties of (2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[3-(1-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 314.43 g/mol, XLogP of 2.67, 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-propan-2-ylbenzimidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119887256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).