(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

C19H25N3O2 — CID 95585939

IUPAC(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-13(24-12-14-6-7-14)19(23)22-10-8-15(9-11-22)18-20-16-4-2-3-5-17(16)21-18/h2-5,13-15H,6-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyYTBWMDBXNRJVMV-CYBMUJFWSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds5

About (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one (PubChem CID 95585939) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
PubChem CID95585939
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
SMILESC[C@@H](OCC1CC1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H25N3O2/c1-13(24-12-14-6-7-14)19(23)22-10-8-15(9-11-22)18-20-16-4-2-3-5-17(16)21-18/h2-5,13-15H,6-12H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyYTBWMDBXNRJVMV-CYBMUJFWSA-N
XLogP3.08
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-chlorophenoxy)propan-1-one
CID 55576338
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 45370047
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 33117135
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-cyclohexyloxyethanone
CID 56814068
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 33118486
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one?
The IUPAC name of (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one (CID 95585939) is (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one?
The canonical SMILES for (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one is C[C@@H](OCC1CC1)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one?
The InChIKey is YTBWMDBXNRJVMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(24-12-14-6-7-14)19(23)22-10-8-15(9-11-22)18-20-16-4-2-3-5-17(16)21-18/h2-5,13-15H,6-12H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one?
(2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one is sourced from PubChem (CID 95585939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).