N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide

C12H21N3O — CID 108915415

IUPACN-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C)CC1)C1CC1
InChIInChI=1S/C12H21N3O/c1-10(11-3-4-11)9-13-12(16)15-7-5-14(2)6-8-15/h9,11H,3-8H2,1-2H3,(H,13,16)/b10-9+
InChIKeyYXLQLRCODUXDJM-MDZDMXLPSA-N
MW223.32 g/mol
LogP1.26
Rot. Bonds2

About N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide

N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide (PubChem CID 108915415) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
PubChem CID108915415
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(C)CC1)C1CC1
InChIInChI=1S/C12H21N3O/c1-10(11-3-4-11)9-13-12(16)15-7-5-14(2)6-8-15/h9,11H,3-8H2,1-2H3,(H,13,16)/b10-9+
InChIKeyYXLQLRCODUXDJM-MDZDMXLPSA-N
XLogP1.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-cyclopropylprop-1-enyl]pyrrolidine-1-carboxamide
CID 108915443
N-[(E)-2-cyclopentylprop-1-enyl]-4-methylpiperidine-1-carboxamide
CID 108913842
4-(2-aminoethyl)-N-[(E)-2-cyclopentylprop-1-enyl]piperazine-1-carboxamide
CID 108913928
N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide
CID 108915581
N-[(E)-2-cyclopropylprop-1-enyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108915580
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
ethyl 1-[[(E)-2-cyclopropylprop-1-enyl]carbamoyl]piperidine-3-carboxylate
CID 108915450
1-[[(E)-2,3-dimethylbut-1-enyl]carbamoyl]piperidine-4-carboxylic acid
CID 108914589
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]ethanone
CID 168881895
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
CID 108915612

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide (CID 108915415) is N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(C)CC1)C1CC1.
What is the InChIKey of N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is YXLQLRCODUXDJM-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(11-3-4-11)9-13-12(16)15-7-5-14(2)6-8-15/h9,11H,3-8H2,1-2H3,(H,13,16)/b10-9+.
What are the key properties of N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide?
N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 108915415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).