(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

C16H23N3O — CID 9033055

IUPAC(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-18-9-11-19(12-10-18)15(13-5-3-2-4-6-13)16(20)17-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyMMYYBSDEZJBGKF-HNNXBMFYSA-N
MW273.38 g/mol
LogP1.25
Rot. Bonds4

About (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide

(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide (PubChem CID 9033055) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
PubChem CID9033055
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
SMILESCN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1
InChIInChI=1S/C16H23N3O/c1-18-9-11-19(12-10-18)15(13-5-3-2-4-6-13)16(20)17-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,17,20)/t15-/m0/s1
InChIKeyMMYYBSDEZJBGKF-HNNXBMFYSA-N
XLogP1.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-cyclopropyl-2-phenylacetamide
CID 9033825
2-(4-methylpiperazin-1-yl)-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119453034
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide;dihydrochloride
CID 119458426
(2S)-N-cyclopropyl-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9029671
(2S)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 9027643
(2S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-N-cyclopropyl-2-phenylacetamide
CID 9029338
2-[[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]amino]acetic acid
CID 119350173
(2S)-N-cyclopropyl-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylacetamide
CID 51887029
(2R)-2-(4-methylpiperazin-1-yl)-2-phenyl-N-propylacetamide
CID 94820416
N-cyclopropyl-2-[3-(methylamino)piperidin-1-yl]-2-phenylacetamide
CID 119918563
(2R)-N-cyclopropyl-2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 94797745
ethyl 1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxylate
CID 9046776

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide (CID 9033055) is (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide is CN1CCN([C@H](C(=O)NC2CC2)c2ccccc2)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
The InChIKey is MMYYBSDEZJBGKF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-18-9-11-19(12-10-18)15(13-5-3-2-4-6-13)16(20)17-14-7-8-14/h2-6,14-15H,7-12H2,1H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide?
(2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide has a molecular weight of 273.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(4-methylpiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 9033055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).