(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one

C19H30N4O3 — CID 95851745

IUPAC(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
SMILESCc1nccn1[C@H](C)CC(=O)N1CCC(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(23-8-5-20-16(23)2)13-18(24)21-6-3-17(4-7-21)14-19(25)22-9-11-26-12-10-22/h5,8,15,17H,3-4,6-7,9-14H2,1-2H3/t15-/m1/s1
InChIKeyANRHPFLANUJLLL-OAHLLOKOSA-N
MW362.47 g/mol
LogP1.63
Rot. Bonds5

About (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one

(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one (PubChem CID 95851745) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
PubChem CID95851745
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
SMILESCc1nccn1[C@H](C)CC(=O)N1CCC(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H30N4O3/c1-15(23-8-5-20-16(23)2)13-18(24)21-6-3-17(4-7-21)14-19(25)22-9-11-26-12-10-22/h5,8,15,17H,3-4,6-7,9-14H2,1-2H3/t15-/m1/s1
InChIKeyANRHPFLANUJLLL-OAHLLOKOSA-N
XLogP1.63
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one
CID 110244178
3-(2-methylimidazol-1-yl)-1-piperazin-1-ylbutan-1-one
CID 82510754
2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
(3R)-1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-3-(2-methylimidazol-1-yl)butan-1-one
CID 125176819
1-morpholin-4-yl-2-(4-propan-2-ylcyclohexyl)ethanone
CID 58394969
2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172899457
2,3-dimethyl-7-[(3S)-3-(2-methylimidazol-1-yl)butanoyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 95136861
(3R)-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-3-(2-methylimidazol-1-yl)butan-1-one
CID 97189671
(3R)-3-(2-methylimidazol-1-yl)butanoate
CID 6940829
2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 57211832
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113
(3S)-3-(2-methylimidazol-1-yl)-1-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 125158470

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one (CID 95851745) is (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one is Cc1nccn1[C@H](C)CC(=O)N1CCC(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one?
The InChIKey is ANRHPFLANUJLLL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-15(23-8-5-20-16(23)2)13-18(24)21-6-3-17(4-7-21)14-19(25)22-9-11-26-12-10-22/h5,8,15,17H,3-4,6-7,9-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one?
(3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one has a molecular weight of 362.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methylimidazol-1-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95851745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).