(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

C19H33N5O2 — CID 97277363

IUPAC(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H33N5O2/c1-16(2)18-20-4-5-24(18)17(3)19(25)23-10-8-21(9-11-23)6-7-22-12-14-26-15-13-22/h4-5,16-17H,6-15H2,1-3H3/t17-/m0/s1
InChIKeyYCDAGJNRTSEHER-KRWDZBQOSA-N
MW363.51 g/mol
LogP1.04
Rot. Bonds6

About (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one

(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 97277363) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID97277363
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1[C@@H](C)C(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C19H33N5O2/c1-16(2)18-20-4-5-24(18)17(3)19(25)23-10-8-21(9-11-23)6-7-22-12-14-26-15-13-22/h4-5,16-17H,6-15H2,1-3H3/t17-/m0/s1
InChIKeyYCDAGJNRTSEHER-KRWDZBQOSA-N
XLogP1.04
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 72937551
1-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 70742561
2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 146043279
2-(2-propan-2-ylimidazol-1-yl)-1-[4-(2-pyridin-4-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 137338463
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 97210714
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CID 97190344
2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)propan-1-one
CID 72909196
3-[4-[2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
CID 86285968
(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97191226
(2R)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 95129359
(2S)-2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 95129358

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 97277363) is (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1[C@@H](C)C(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is YCDAGJNRTSEHER-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-16(2)18-20-4-5-24(18)17(3)19(25)23-10-8-21(9-11-23)6-7-22-12-14-26-15-13-22/h4-5,16-17H,6-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one?
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 363.51 g/mol, XLogP of 1.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 97277363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).