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

C22H30ClN5O2 — CID 138043200

IUPAC(2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCN(C)c1nc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c(Cl)n1-c1ccccc1
InChIInChI=1S/C22H30ClN5O2/c1-26(2)22-25-18(20(23)28(22)16-6-4-3-5-7-16)14-27-11-8-15(9-12-27)19-17(21(24)29)10-13-30-19/h3-7,15,17,19H,8-14H2,1-2H3,(H2,24,29)/t17-,19+/m0/s1
InChIKeyINIXHKRHNPKQBO-PKOBYXMFSA-N
MW431.97 g/mol
LogP2.69
Rot. Bonds6

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

(2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 138043200) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide
PubChem CID138043200
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name(2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide
SMILESCN(C)c1nc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c(Cl)n1-c1ccccc1
InChIInChI=1S/C22H30ClN5O2/c1-26(2)22-25-18(20(23)28(22)16-6-4-3-5-7-16)14-27-11-8-15(9-12-27)19-17(21(24)29)10-13-30-19/h3-7,15,17,19H,8-14H2,1-2H3,(H2,24,29)/t17-,19+/m0/s1
InChIKeyINIXHKRHNPKQBO-PKOBYXMFSA-N
XLogP2.69
TPSA76.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(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-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978850
(2R,3S)-2-[1-[(5-cyanofuran-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 154756732
(2R,3S)-2-[1-[(1-methylbenzimidazol-5-yl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 167949273
(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167800689
(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977581
(2S,3R)-2-[1-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]oxolane-3-carboxylic acid
CID 167772786
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166
(2R,3S)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]oxolane-3-carboxamide
CID 128977579
(2S,3R)-2-[1-(5-fluoro-1-benzofuran-4-carbonyl)piperidin-4-yl]oxolane-3-carboxamide
CID 167894841

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide (CID 138043200) is (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide is CN(C)c1nc(CN2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)c(Cl)n1-c1ccccc1.
What is the InChIKey of (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is INIXHKRHNPKQBO-PKOBYXMFSA-N. The full InChI is InChI=1S/C22H30ClN5O2/c1-26(2)22-25-18(20(23)28(22)16-6-4-3-5-7-16)14-27-11-8-15(9-12-27)19-17(21(24)29)10-13-30-19/h3-7,15,17,19H,8-14H2,1-2H3,(H2,24,29)/t17-,19+/m0/s1.
What are the key properties of (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 431.97 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-[[5-chloro-2-(dimethylamino)-1-phenylimidazol-4-yl]methyl]piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 138043200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).