(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide

C14H27N3O3 — CID 164637206

IUPAC(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCOCCN1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1=O
InChIInChI=1S/C14H27N3O3/c1-11(2)15(4)14(19)12(3)17-7-6-16(8-9-20-5)13(18)10-17/h11-12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyGZHGFJYLOBMDPC-LBPRGKRZSA-N
MW285.39 g/mol
LogP0.03
Rot. Bonds6

About (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide

(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide (PubChem CID 164637206) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide
PubChem CID164637206
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide
SMILESCOCCN1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1=O
InChIInChI=1S/C14H27N3O3/c1-11(2)15(4)14(19)12(3)17-7-6-16(8-9-20-5)13(18)10-17/h11-12H,6-10H2,1-5H3/t12-/m0/s1
InChIKeyGZHGFJYLOBMDPC-LBPRGKRZSA-N
XLogP0.03
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
Morpholine, 4-(2-(bis(2-chloroethyl)amino)propionyl)-, hydrochloride
CID 3064257
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927
2-[4-(2-methoxyacetyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 53513028
2-[4-(2-Ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53596202
1-(Azetidin-1-yl)-2-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 53609242
3-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N,N-dimethylpropanamide
CID 53609821
1-(Azetidin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 53609826
2-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610261

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide (CID 164637206) is (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide is COCCN1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1=O.
What is the InChIKey of (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide?
The InChIKey is GZHGFJYLOBMDPC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(2)15(4)14(19)12(3)17-7-6-16(8-9-20-5)13(18)10-17/h11-12H,6-10H2,1-5H3/t12-/m0/s1.
What are the key properties of (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide?
(2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide has a molecular weight of 285.39 g/mol, XLogP of 0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methoxyethyl)-3-oxopiperazin-1-yl]-N-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 164637206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).