N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene

C19H43N3O2 — CID 153330361

IUPACN-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene
SMILESC.C=CC.CCC.CCNC(=O)CN1CCN(C(C)COC)CC1
InChIInChI=1S/C12H25N3O2.C3H8.C3H6.CH4/c1-4-13-12(16)9-14-5-7-15(8-6-14)11(2)10-17-3;2*1-3-2;/h11H,4-10H2,1-3H3,(H,13,16);3H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyPXQNPMGKYSHPDH-UHFFFAOYSA-N
MW345.57 g/mol
LogP3.02
Rot. Bonds6

About N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene

N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene (PubChem CID 153330361) has the molecular formula C19H43N3O2 and a molecular weight of 345.57 g/mol. Its IUPAC name is N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene.

Molecular Properties

Compound NameN-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene
PubChem CID153330361
Molecular FormulaC19H43N3O2
Molecular Weight345.57 g/mol
Exact Mass345.34
IUPAC NameN-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene
SMILESC.C=CC.CCC.CCNC(=O)CN1CCN(C(C)COC)CC1
InChIInChI=1S/C12H25N3O2.C3H8.C3H6.CH4/c1-4-13-12(16)9-14-5-7-15(8-6-14)11(2)10-17-3;2*1-3-2;/h11H,4-10H2,1-3H3,(H,13,16);3H2,1-2H3;3H,1H2,2H3;1H4
InChIKeyPXQNPMGKYSHPDH-UHFFFAOYSA-N
XLogP3.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethylpropyl)-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide
CID 135173691
N-ethyl-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 86923511
N-ethyl-2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]acetamide
CID 78849332
N-ethyl-2-(4-prop-2-enoylpiperazin-1-yl)acetamide;hydrochloride
CID 173287477
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816
2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-ethylacetamide
CID 54995847
N-(2-methoxyethyl)-2-[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30960234
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene?
The IUPAC name of N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene (CID 153330361) is N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene.
What is the SMILES notation for N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene?
The canonical SMILES for N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene is C.C=CC.CCC.CCNC(=O)CN1CCN(C(C)COC)CC1.
What is the InChIKey of N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene?
The InChIKey is PXQNPMGKYSHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.C3H8.C3H6.CH4/c1-4-13-12(16)9-14-5-7-15(8-6-14)11(2)10-17-3;2*1-3-2;/h11H,4-10H2,1-3H3,(H,13,16);3H2,1-2H3;3H,1H2,2H3;1H4.
What are the key properties of N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene?
N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene has a molecular weight of 345.57 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1-methoxypropan-2-yl)piperazin-1-yl]acetamide;methane;propane;prop-1-ene is sourced from PubChem (CID 153330361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).