(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide

C19H26N4O2 — CID 167949273

IUPAC(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCn1cnc2cc(CN3CCC([C@H]4OCC[C@@H]4C(N)=O)CC3)ccc21
InChIInChI=1S/C19H26N4O2/c1-22-12-21-16-10-13(2-3-17(16)22)11-23-7-4-14(5-8-23)18-15(19(20)24)6-9-25-18/h2-3,10,12,14-15,18H,4-9,11H2,1H3,(H2,20,24)/t15-,18+/m0/s1
InChIKeyKHJXNLGACDJMFD-MAUKXSAKSA-N
MW342.44 g/mol
LogP1.68
Rot. Bonds4

About (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 167949273) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID167949273
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCn1cnc2cc(CN3CCC([C@H]4OCC[C@@H]4C(N)=O)CC3)ccc21
InChIInChI=1S/C19H26N4O2/c1-22-12-21-16-10-13(2-3-17(16)22)11-23-7-4-14(5-8-23)18-15(19(20)24)6-9-25-18/h2-3,10,12,14-15,18H,4-9,11H2,1H3,(H2,20,24)/t15-,18+/m0/s1
InChIKeyKHJXNLGACDJMFD-MAUKXSAKSA-N
XLogP1.68
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-[1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154802072
(2R,3S)-2-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978853
(2R,3S)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978878
(2R,3S)-2-[1-[(5-cyclopropyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154759723
(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154756732
(2R,3S)-2-[1-(5-methylfuran-2-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128979440
1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 167870571
(2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 138043200
(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977579
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
(4-benzylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 95967887
methane;(1-methylbenzimidazol-5-yl)methanamine
CID 159204423

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide (CID 167949273) is (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide is Cn1cnc2cc(CN3CCC([C@H]4OCC[C@@H]4C(N)=O)CC3)ccc21.
What is the InChIKey of (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is KHJXNLGACDJMFD-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22-12-21-16-10-13(2-3-17(16)22)11-23-7-4-14(5-8-23)18-15(19(20)24)6-9-25-18/h2-3,10,12,14-15,18H,4-9,11H2,1H3,(H2,20,24)/t15-,18+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 167949273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).