4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

C12H20N2O — CID 158051129

IUPAC4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CC1CC1
InChIInChI=1S/C12H20N2O/c1-9(2)14-7-6-13(8-11-4-5-11)10(3)12(14)15/h9,11H,3-8H2,1-2H3
InChIKeyXUELTBMEUGQILR-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.46
Rot. Bonds3

About 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one

4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (PubChem CID 158051129) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
PubChem CID158051129
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
SMILESC=C1C(=O)N(C(C)C)CCN1CC1CC1
InChIInChI=1S/C12H20N2O/c1-9(2)14-7-6-13(8-11-4-5-11)10(3)12(14)15/h9,11H,3-8H2,1-2H3
InChIKeyXUELTBMEUGQILR-UHFFFAOYSA-N
XLogP1.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(1-Fluorocyclopropyl)methyl]-4-methyl-3-methylidenepiperazin-2-one
CID 123173795
1-(1-Cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-3-methylidenepiperazin-2-one
CID 123733654
4-(2-Fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051122
4-(3-Fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051128
1-(2-Fluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528278
1-(3-Fluoropropyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528285
(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 89063960
(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one
CID 89194292
1,4-Ditert-butyl-3-methylidenepiperazin-2-one
CID 90134200
1-(Cyclopropylmethyl)-3-methylidene-4-propyl-1,4-diazepan-2-one
CID 123156274
1-(Cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one
CID 123382558
1-(Cyclopropylmethyl)-4-methyl-3-methylidene-1,4-diazepan-2-one
CID 123406540

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one (CID 158051129) is 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is C=C1C(=O)N(C(C)C)CCN1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
The InChIKey is XUELTBMEUGQILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)14-7-6-13(8-11-4-5-11)10(3)12(14)15/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one?
4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one has a molecular weight of 208.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 158051129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).