(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C21H29N5O2 — CID 97276264

IUPAC(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCOCC1
InChIInChI=1S/C21H29N5O2/c1-17(24-12-14-28-15-13-24)21(27)25-9-5-18(6-10-25)20-23-8-11-26(20)16-19-4-2-3-7-22-19/h2-4,7-8,11,17-18H,5-6,9-10,12-16H2,1H3/t17-/m1/s1
InChIKeySPQVXXQCDRZETD-QGZVFWFLSA-N
MW383.50 g/mol
LogP1.75
Rot. Bonds5

About (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 97276264) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID97276264
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCOCC1
InChIInChI=1S/C21H29N5O2/c1-17(24-12-14-28-15-13-24)21(27)25-9-5-18(6-10-25)20-23-8-11-26(20)16-19-4-2-3-7-22-19/h2-4,7-8,11,17-18H,5-6,9-10,12-16H2,1H3/t17-/m1/s1
InChIKeySPQVXXQCDRZETD-QGZVFWFLSA-N
XLogP1.75
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 72911781
1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 72865254
morpholin-4-yl-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97155138
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72863746
1-(1-methylpyrrol-2-yl)-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethane-1,2-dione
CID 72888914
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
[(3R)-1-methylpiperidin-3-yl]-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97122863
2,3-dihydro-1,4-benzodioxin-3-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 3860958
4-methyl-N-[2-oxo-2-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethyl]benzenesulfonamide
CID 3680928
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 134086412
(2R)-2-phenyl-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97283623
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906

Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 97276264) is (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)N1CCOCC1.
What is the InChIKey of (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is SPQVXXQCDRZETD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17(24-12-14-28-15-13-24)21(27)25-9-5-18(6-10-25)20-23-8-11-26(20)16-19-4-2-3-7-22-19/h2-4,7-8,11,17-18H,5-6,9-10,12-16H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
(2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 383.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-yl-1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 97276264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).