4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide

C19H27N3O3 — CID 56826993

IUPAC4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
SMILESC=CCOc1cccc(NC(=O)N2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-2-12-24-17-6-3-5-16(14-17)20-19(23)22-10-8-21(9-11-22)15-18-7-4-13-25-18/h2-3,5-6,14,18H,1,4,7-13,15H2,(H,20,23)
InChIKeyLWXSMQORGAXFHJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.58
Rot. Bonds6

About 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide

4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide (PubChem CID 56826993) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
PubChem CID56826993
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
SMILESC=CCOc1cccc(NC(=O)N2CCN(CC3CCCO3)CC2)c1
InChIInChI=1S/C19H27N3O3/c1-2-12-24-17-6-3-5-16(14-17)20-19(23)22-10-8-21(9-11-22)15-18-7-4-13-25-18/h2-3,5-6,14,18H,1,4,7-13,15H2,(H,20,23)
InChIKeyLWXSMQORGAXFHJ-UHFFFAOYSA-N
XLogP2.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.58
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

1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
CID 118777017
N-[3-(methoxymethyl)phenyl]-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 95311462
N-[3-(difluoromethoxy)phenyl]-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336923
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
4-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(3-ethoxyphenyl)piperazine-1-carboxamide
CID 95630489
N-(4-ethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105474
N-(3,4-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 51969635
1-[[3-(oxolan-2-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075805
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 60577938
N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336889
4-(oxolan-2-ylmethyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105457

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide (CID 56826993) is 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide is C=CCOc1cccc(NC(=O)N2CCN(CC3CCCO3)CC2)c1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LWXSMQORGAXFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-12-24-17-6-3-5-16(14-17)20-19(23)22-10-8-21(9-11-22)15-18-7-4-13-25-18/h2-3,5-6,14,18H,1,4,7-13,15H2,(H,20,23).
What are the key properties of 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide?
4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56826993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).