N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

C15H21N5O2 — CID 121107808

IUPACN-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESC=CCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H21N5O2/c1-2-5-18-14(21)15(22)19-10-12-3-8-20(9-4-12)13-11-16-6-7-17-13/h2,6-7,11-12H,1,3-5,8-10H2,(H,18,21)(H,19,22)
InChIKeyVMSMSXFXQAKAGY-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.11
Rot. Bonds5

About N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide

N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 121107808) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID121107808
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
SMILESC=CCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H21N5O2/c1-2-5-18-14(21)15(22)19-10-12-3-8-20(9-4-12)13-11-16-6-7-17-13/h2,6-7,11-12H,1,3-5,8-10H2,(H,18,21)(H,19,22)
InChIKeyVMSMSXFXQAKAGY-UHFFFAOYSA-N
XLogP0.11
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-oxo-2-[(1-pyrazin-2-ylpiperidin-4-yl)methylamino]acetyl]amino]benzoate
CID 121107856
N'-(4-propan-2-ylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 71786344
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
3-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]butanamide
CID 121109026
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxane-4-carboxamide
CID 131911346
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
N'-(2-methylsulfanylphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107848
1-(4-ethoxyphenyl)-3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]urea
CID 121109156
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide
CID 121107855
N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 62592661

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide (CID 121107808) is N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is C=CCNC(=O)C(=O)NCC1CCN(c2cnccn2)CC1.
What is the InChIKey of N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is VMSMSXFXQAKAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-5-18-14(21)15(22)19-10-12-3-8-20(9-4-12)13-11-16-6-7-17-13/h2,6-7,11-12H,1,3-5,8-10H2,(H,18,21)(H,19,22).
What are the key properties of N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide?
N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 303.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 121107808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).