4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide

C19H28N4O2 — CID 753260

IUPAC4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C19H28N4O2/c1-14(2)15-6-5-7-16(12-15)19(3,4)21-18(25)23-10-8-22(9-11-23)13-17(20)24/h5-7,12H,1,8-11,13H2,2-4H3,(H2,20,24)(H,21,25)
InChIKeyHFIYTQJQQHGEGT-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.77
Rot. Bonds5

About 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide

4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 753260) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
PubChem CID753260
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC(N)=O)CC2)c1
InChIInChI=1S/C19H28N4O2/c1-14(2)15-6-5-7-16(12-15)19(3,4)21-18(25)23-10-8-22(9-11-23)13-17(20)24/h5-7,12H,1,8-11,13H2,2-4H3,(H2,20,24)(H,21,25)
InChIKeyHFIYTQJQQHGEGT-UHFFFAOYSA-N
XLogP1.77
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (CID 753260) is 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(CC(N)=O)CC2)c1.
What is the InChIKey of 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is HFIYTQJQQHGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)15-6-5-7-16(12-15)19(3,4)21-18(25)23-10-8-22(9-11-23)13-17(20)24/h5-7,12H,1,8-11,13H2,2-4H3,(H2,20,24)(H,21,25).
What are the key properties of 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 753260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).