(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

C15H27N3O3 — CID 42216653

IUPAC(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESCC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)11-18-5-4-16-14(20)12(18)10-13(19)17-6-8-21-9-7-17/h12H,4-11H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeySZCWOAWDWNIEPZ-LBPRGKRZSA-N
MW297.40 g/mol
LogP0.08
Rot. Bonds3

About (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (PubChem CID 42216653) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
PubChem CID42216653
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESCC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)11-18-5-4-16-14(20)12(18)10-13(19)17-6-8-21-9-7-17/h12H,4-11H2,1-3H3,(H,16,20)/t12-/m0/s1
InChIKeySZCWOAWDWNIEPZ-LBPRGKRZSA-N
XLogP0.08
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
4-(2,2-dimethylpropyl)-3-[2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]piperazin-2-one
CID 45213414
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 56882602
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one
CID 95714986
4-(2,3-dihydro-1H-inden-2-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 74229773
(3S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-(3-methylbutyl)piperazin-2-one
CID 26412996
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-methyl-N-(quinolin-2-ylmethyl)acetamide
CID 45194166
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 45210398
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(2-imidazol-1-ylethyl)-N-methylacetamide
CID 56858692
4-(furan-3-ylmethyl)-3-(2-oxo-2-thiomorpholin-4-ylethyl)piperazin-2-one
CID 45238416
(3S)-3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(furan-3-ylmethyl)piperazin-2-one
CID 26407343
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 56896629

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The IUPAC name of (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (CID 42216653) is (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The canonical SMILES for (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is CC(C)(C)CN1CCNC(=O)[C@@H]1CC(=O)N1CCOCC1.
What is the InChIKey of (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The InChIKey is SZCWOAWDWNIEPZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)11-18-5-4-16-14(20)12(18)10-13(19)17-6-8-21-9-7-17/h12H,4-11H2,1-3H3,(H,16,20)/t12-/m0/s1.
What are the key properties of (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one has a molecular weight of 297.40 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is sourced from PubChem (CID 42216653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).