(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide

C11H21N3O3 — CID 124982197

IUPAC(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCOC)CCN1C
InChIInChI=1S/C11H21N3O3/c1-12-11(16)9-8-14(6-5-13(9)2)10(15)4-7-17-3/h9H,4-8H2,1-3H3,(H,12,16)/t9-/m1/s1
InChIKeyMVLWZJOCWIIMQH-SECBINFHSA-N
MW243.31 g/mol
LogP-1.09
Rot. Bonds4

About (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide

(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 124982197) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
PubChem CID124982197
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CN(C(=O)CCOC)CCN1C
InChIInChI=1S/C11H21N3O3/c1-12-11(16)9-8-14(6-5-13(9)2)10(15)4-7-17-3/h9H,4-8H2,1-3H3,(H,12,16)/t9-/m1/s1
InChIKeyMVLWZJOCWIIMQH-SECBINFHSA-N
XLogP-1.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
(2R)-4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124940245
4-(3-methoxypropanoyl)-N-methyl-1-(2-phenylethyl)piperazine-2-carboxamide
CID 110086321
4-[2-(2-methoxyphenyl)acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086218
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
1-(3,4-dihydroxypyrrolidin-1-yl)-3-methoxypropan-1-one
CID 106671129
4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086268
N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085995
4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086228
N,1-dimethyl-4-(4-methylbenzoyl)piperazine-2-carboxamide
CID 121451737
1-[3-(1H-imidazol-2-yl)-4-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 129000377
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide (CID 124982197) is (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)[C@H]1CN(C(=O)CCOC)CCN1C.
What is the InChIKey of (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is MVLWZJOCWIIMQH-SECBINFHSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-12-11(16)9-8-14(6-5-13(9)2)10(15)4-7-17-3/h9H,4-8H2,1-3H3,(H,12,16)/t9-/m1/s1.
What are the key properties of (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide?
(2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124982197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).