(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide

C16H23N3O3 — CID 124999111

IUPAC(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)COc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C16H23N3O3/c1-12(2)19-9-8-18(10-14(19)16(17)21)15(20)11-22-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,21)/t14-/m1/s1
InChIKeyRMTJFNDWUMGRIX-CQSZACIVSA-N
MW305.38 g/mol
LogP0.47
Rot. Bonds5

About (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide

(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 124999111) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID124999111
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)COc2ccccc2)C[C@@H]1C(N)=O
InChIInChI=1S/C16H23N3O3/c1-12(2)19-9-8-18(10-14(19)16(17)21)15(20)11-22-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,21)/t14-/m1/s1
InChIKeyRMTJFNDWUMGRIX-CQSZACIVSA-N
XLogP0.47
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
4-(2-phenoxyacetyl)-1-propan-2-ylpiperazin-2-one
CID 110708995
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
1-(3-aminopiperidin-1-yl)-2-phenoxyethanone;hydrochloride
CID 119377679
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
4-[4-(2-phenoxyacetyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108546365

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide (CID 124999111) is (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)COc2ccccc2)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is RMTJFNDWUMGRIX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)19-9-8-18(10-14(19)16(17)21)15(20)11-22-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,17,21)/t14-/m1/s1.
What are the key properties of (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide?
(2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-phenoxyacetyl)-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 124999111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).