(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide

C16H25N3O — CID 94820416

IUPAC(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
SMILESCCCNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-3-9-17-16(20)15(14-7-5-4-6-8-14)19-12-10-18(2)11-13-19/h4-8,15H,3,9-13H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyQCUYTZWYOIPNNX-OAHLLOKOSA-N
MW275.40 g/mol
LogP1.50
Rot. Bonds5

About (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide

(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide (PubChem CID 94820416) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
PubChem CID94820416
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
SMILESCCCNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C16H25N3O/c1-3-9-17-16(20)15(14-7-5-4-6-8-14)19-12-10-18(2)11-13-19/h4-8,15H,3,9-13H2,1-2H3,(H,17,20)/t15-/m1/s1
InChIKeyQCUYTZWYOIPNNX-OAHLLOKOSA-N
XLogP1.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2R)-N-butyl-2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetamide
CID 94825159
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 9033055
N-[2-(ethylamino)ethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119508146
N-[(2S)-1-aminopropan-2-yl]-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 120506442
N-carbamoyl-2-[4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl]-2-phenylacetamide
CID 55382083
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
(2R)-2-(4-benzhydrylpiperazin-1-yl)-N-propylpropanamide
CID 9275101
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
N-benzyl-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 164930531
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
(2S)-2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(3-methylbutyl)-2-phenylacetamide
CID 95155180

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide?
The IUPAC name of (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide (CID 94820416) is (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide.
What is the SMILES notation for (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide?
The canonical SMILES for (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide is CCCNC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide?
The InChIKey is QCUYTZWYOIPNNX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-17-16(20)15(14-7-5-4-6-8-14)19-12-10-18(2)11-13-19/h4-8,15H,3,9-13H2,1-2H3,(H,17,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide?
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide has a molecular weight of 275.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide is sourced from PubChem (CID 94820416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).